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

C11H6BrN3O4S2 — CID 107797211

IUPAC5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESN#Cc1ccc(Br)cc1NS(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C11H6BrN3O4S2/c12-7-2-1-6(4-13)8(3-7)15-21(18,19)11-9(10(16)17)14-5-20-11/h1-3,5,15H,(H,16,17)
InChIKeyFHXOBROGYSEDOV-UHFFFAOYSA-N
MW388.22 g/mol
LogP2.28
Rot. Bonds4

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

5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 107797211) has the molecular formula C11H6BrN3O4S2 and a molecular weight of 388.22 g/mol. Its IUPAC name is 5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID107797211
Molecular FormulaC11H6BrN3O4S2
Molecular Weight388.22 g/mol
Exact Mass386.90
IUPAC Name5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESN#Cc1ccc(Br)cc1NS(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C11H6BrN3O4S2/c12-7-2-1-6(4-13)8(3-7)15-21(18,19)11-9(10(16)17)14-5-20-11/h1-3,5,15H,(H,16,17)
InChIKeyFHXOBROGYSEDOV-UHFFFAOYSA-N
XLogP2.28
TPSA120.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107807132
N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide
CID 107798417
3-[(5-bromo-2-cyanophenyl)sulfamoyl]propanoic acid
CID 114002445
5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107596866
4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 107798445
4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene
CID 107798443
6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide
CID 107801188
3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
CID 107798442
N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 104878072
2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107797195
4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107800302
2-(5-bromo-2-cyanoanilino)pyridine-3-carboxylic acid
CID 107799260

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 107797211) is 5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is N#Cc1ccc(Br)cc1NS(=O)(=O)c1scnc1C(=O)O.
What is the InChIKey of 5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FHXOBROGYSEDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O4S2/c12-7-2-1-6(4-13)8(3-7)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-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 388.22 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107797211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).