Name: Name:2-(4-Chloro-benzenesulfonylamino)-benzoic acid
Brand: AABLOCKS
SKU: AA00DIDD
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00DIDD

Chemical Name: 2-(4-Chloro-benzenesulfonylamino)-benzoic acid

CAS Number: 51012-31-8

Molecular Formula: C13H10ClNO4S

Molecular Weight: 311.7408

MDL Number: MFCD00553026

SMILES: Clc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)O

NSC Number: 626929

Properties

Complexity: 440

Covalently-Bonded Unit Count: 1

Heavy Atom Count: 20

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 2

Rotatable Bond Count: 4

XLogP3: 2.8

Downstream Synthesis Route

118-92-3

98-60-2

51012-31-8

[1]CurrentPatentAssignee:VALOHEALTHINC;VALOEARLYDISCOVERYINC-WO2020/223551,2020,A1Locationinpatent:Paragraph0211;0212

[2]Dychanow;Dychanowa[ZhurnalPrikladnoiKhimii,1959,vol.32,p.924,925;engl.Ausg.S.941]

[3]Ruzi,Rehanguli;Ma,Junyang;Yuan,Xiang-Ai;Wang,Wenliang;Wang,Shanshan;Zhang,Muliang;Dai,Jie;Xie,Jin;Zhu,Chengjian[Chemistry-AEuropeanJournal,2019,vol.25,#55,p.12724-12729]

[4]Li,Jia-Qi;Chen,Cheng;Yao,Min;Sun,Le-Yun;Gao,Han;Chigan,Jiazhu;Yang,Ke-Wu[BioorganicChemistry,2020,vol.105]

51012-31-8

2894-51-1

[1]Ruzi,Rehanguli;Ma,Junyang;Yuan,Xiang-Ai;Wang,Wenliang;Wang,Shanshan;Zhang,Muliang;Dai,Jie;Xie,Jin;Zhu,Chengjian[Chemistry-AEuropeanJournal,2019,vol.25,#55,p.12724-12729]

Literature fold

Title: Design and synthesis of small molecule glycerol 3-phosphate acyltransferase inhibitors.

Journal: Journal of medicinal chemistry20090528

51012-31-8 | 2-(4-Chloro-benzenesulfonylamino)-benzoic acid