3-(4,5-二氢-3-甲基-5-氧代-1H-吡唑-1-基)苯磺酰胺 | 89-29-2
中文名称:
3-(4,5-二氢-3-甲基-5-氧代-1H-吡唑-1-基)苯磺酰胺
英文名称:
3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide
CAS No.:
89-29-2
分子式:
C1 0 H1 1 N3 O3 S
分子量:
253.277640581131
名称和标识符
MDL
MFCD00035707
InChIKey
ASVVGQURNHNITH-UHFFFAOYSA-N
Inchi
1S/C10H11N3O3S/c1-7-5-10(14)13(12-7)8-3-2-4-9(6-8)17(11,15)16/h2-4,6H,5H2,1H3,(H2,11,15,16)
SMILES
O=C1CC(C)=NN1C1C=C(S(N)(=O)=O)C=CC=1
别名信息
- 中文别名 -
3-(4,5-二氢-3-甲基-5-氧代-1H-吡唑-1-基)苯磺酰胺
3-(4,5-二氢-3-甲基-5-氧代-1H-吡唑-1-基)-苯磺酰胺
3-甲基-1-(3'-磺酸氨苯基)-5-吡唑啉酮
1-(3’-磺酰基)苯基-3-甲基-5-吡唑酮
3-Methyl-1-(3'-sulfoamidophenyl)-5-pyrazolone 3-甲基-1-(3'-磺酸氨苯基)-5-吡唑啉酮
3-甲基-1-(3 -磺酸氨苯基)-5-吡唑啉酮
3-甲基-1-(3-磺酸苯氨基)-5-吡唑啉酮
- 英文别名 -
3-Methyl-1-(3'-sulfoamidophenyl)-5-pyrazolone
3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonamide
3-(3-Methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-benzenesulfonamide
3-(3-methyl-5-oxo-2,5-dihydro-1Hpyrazol-1-yl)benzenesulfonamide
3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide
m-sulfamidopyrazolone
sulfamidopyrazolone
3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide
Benzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
Benzenesulfonamide, m-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
Benzenesulfonamide,3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
ASVVGQURNHNITH-UHFFFAOYSA-N
NSC15355
Maybridge1_006372
CBDivE_007658
SC
BENZENESULPHONAMIDE, 3-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-
m-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonamide
NSC-15355
CCG-46066
FT-0629009
BENZENESULPHONAMIDE, M-(3-METHYL-5-OXO-2-PYRAZOLIN-1-YL)-
AKOS000560184
3-(2-METHYL-1,3-DIOXOLAN-2-YL)PHENYLBORONICACID
CHEMBL2392434
EINECS 201-895-2
D91369
89-29-2
3-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONAMIDE
MFCD00035707
CS-0316982
23GE66VPA5
m-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonamide
DTXSID0058984
UNII-23GE66VPA5
SCHEMBL4108427
SR-01000635789-1
1-[3-(Aminosulfonyl)phenyl]-3-methyl-5(4H)-pyrazolone
Benzenesulfonamide,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
W-100379
Q27463544
m-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzensulfonamid
RH 01325
3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide #
3-(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1YL)-Benzenesulfonamide
NSC 15355
BDBM50004951
3-Methyl-1-(3'-sulfamidophenyl)-5-pyrazolone
AS-72062
3-Methyl-1-(3'-sulfoamidophenyl)-5-pyrazolone, 97%
M0659
HMS559J14
AE-641/00786007
3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonamide (ACI)
Benzenesulfonamide, m-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (6CI, 8CI)
1-(3-Aminosulfonylphenyl)-3-methyl-5-pyrazolone
1-(3-Sulfamoylphenyl)-3-methyl-5-pyrazolone
3-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonamide
3-Methyl-1-(3-sulfamidophenyl)-5-pyrazolone
3-Methyl-1-(3-sulfamoylphenyl)-5-pyrazolone
m-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonamide
物化性质
实验特性
LogP
1.72830
PSA
101.21000
折射率
1.684
沸点
541.6 °C at 760 mmHg
熔点
202-206 ºC
闪点
281.4 °C
密度
1.52
计算特性
精确分子量
253.05200
氢键供体数量
1
氢键受体数量
5
可旋转化学键数量
2
同位素质量
253.052
重原子数量
17
复杂度
452
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
-0.2
互变异构体数量
3
表面电荷
0
拓扑分子极性表面积
101
海关数据
海关编码
2935009090
海关数据
中国海关编码:
2935009090
概述:
2935009090 其他磺(酰)胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0%
申报要素:
品名, 成分含量, 用途
Summary:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%
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参考资料
Reaxys RN
14759700
Beilstein
M158358