5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

C11H6ClN3O4S2 — CID 107807132

IUPAC5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESN#Cc1ccc(NS(=O)(=O)c2scnc2C(=O)O)c(Cl)c1
InChIInChI=1S/C11H6ClN3O4S2/c12-7-3-6(4-13)1-2-8(7)15-21(18,19)11-9(10(16)17)14-5-20-11/h1-3,5,15H,(H,16,17)
InChIKeyUCIMOOPOUHOSEY-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.17
Rot. Bonds4

About 5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 107807132) has the molecular formula C11H6ClN3O4S2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID107807132
Molecular FormulaC11H6ClN3O4S2
Molecular Weight343.77 g/mol
Exact Mass342.95
IUPAC Name5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESN#Cc1ccc(NS(=O)(=O)c2scnc2C(=O)O)c(Cl)c1
InChIInChI=1S/C11H6ClN3O4S2/c12-7-3-6(4-13)1-2-8(7)15-21(18,19)11-9(10(16)17)14-5-20-11/h1-3,5,15H,(H,16,17)
InChIKeyUCIMOOPOUHOSEY-UHFFFAOYSA-N
XLogP2.17
TPSA120.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chloro-4-cyanoanilino)-1,3-thiazole-4-carboxylic acid
CID 114003637
5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107797211
5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 104722427
2-chloro-N-(2-chloro-4-cyanophenyl)-1,3-thiazole-5-sulfonamide
CID 107807707
2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
CID 107810158
N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107810157
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide
CID 107807709
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
5-(2-chloro-4-cyanoanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107810494
1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide
CID 107809713
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 107807132) is 5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is N#Cc1ccc(NS(=O)(=O)c2scnc2C(=O)O)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is UCIMOOPOUHOSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O4S2/c12-7-3-6(4-13)1-2-8(7)15-21(18,19)11-9(10(16)17)14-5-20-11/h1-3,5,15H,(H,16,17).
What are the key properties of 5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 343.77 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107807132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).