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

C11H8BrClN2O4S2 — CID 104722427

IUPAC5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(Br)c(NS(=O)(=O)c2scnc2C(=O)O)cc1Cl
InChIInChI=1S/C11H8BrClN2O4S2/c1-5-2-6(12)8(3-7(5)13)15-21(18,19)11-9(10(16)17)14-4-20-11/h2-4,15H,1H3,(H,16,17)
InChIKeyWGFLHEGHYOGIEM-UHFFFAOYSA-N
MW411.69 g/mol
LogP3.37
Rot. Bonds4

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

5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 104722427) has the molecular formula C11H8BrClN2O4S2 and a molecular weight of 411.69 g/mol. Its IUPAC name is 5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID104722427
Molecular FormulaC11H8BrClN2O4S2
Molecular Weight411.69 g/mol
Exact Mass409.88
IUPAC Name5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(Br)c(NS(=O)(=O)c2scnc2C(=O)O)cc1Cl
InChIInChI=1S/C11H8BrClN2O4S2/c1-5-2-6(12)8(3-7(5)13)15-21(18,19)11-9(10(16)17)14-4-20-11/h2-4,15H,1H3,(H,16,17)
InChIKeyWGFLHEGHYOGIEM-UHFFFAOYSA-N
XLogP3.37
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.69
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113445600
5-[(2-chloro-4-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107807132
5-[(5-bromo-2-cyanophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107797211
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid
CID 104722416
5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107596866
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]propanoic acid
CID 113445366
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113319012
2-amino-5-bromo-N-(2-bromo-5-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 104725117
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106078949
N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 104724699

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 104722427) is 5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is Cc1cc(Br)c(NS(=O)(=O)c2scnc2C(=O)O)cc1Cl.
What is the InChIKey of 5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WGFLHEGHYOGIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O4S2/c1-5-2-6(12)8(3-7(5)13)15-21(18,19)11-9(10(16)17)14-4-20-11/h2-4,15H,1H3,(H,16,17).
What are the key properties of 5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 411.69 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 104722427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).