3-(1-Pyrrolidinylsulfonyl)benzenecarboxylic acid 3-（吡咯烷-1-磺酰基）-苯甲酸

CAS 7326-79-6 MFCD00814149

化学结构图

7326-79-6
SMILES: O=C(O)c1cccc(S(=O)(=O)N2CCCC2)c1

化学属性

Mol. FormulaC11H13NO4S
Mol. Weight255.29
Melting Point149-151 °C

别名和识别编码

Chemical Name3-(1-Pyrrolidinylsulfonyl)benzenecarboxylic acid
Alfabeta NamePYRROLIDINYLSULFONYLBENZENECARBOXYLICACID 31()--
MDL NumberMFCD00814149
CAS Number7326-79-6
Chemical Name Translation3-（吡咯烷-1-磺酰基）-苯甲酸
LabNetwork Molecule IDLN00149732
PubChem Substance ID767690
InChIInChI=1S/C11H13NO4S/c13-11(14)9-4-3-5-10(8-9)17(15,16)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,13,14)
Synonym 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {} {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {} {} {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {} {} {} {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {} {} {} {} {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {} {} {} {} {} {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {} {} {} {} {} {} {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {} {} {} {} {} {} {} {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {} {} {} {} {} {} {} {} {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {} {} {} {} {} {} {} {} {} {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Pyrrolidine-1-sulfonyl)-benzoic a
Canonical SMILESC1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O
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分类

  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
3
H-bond Donors
1
LogP
1

系列性分类

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