4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

C12H9BrClNO4S2 — CID 80980079

IUPAC4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H9BrClNO4S2/c1-6-11(5-10(20-6)12(16)17)21(18,19)15-9-3-2-7(14)4-8(9)13/h2-5,15H,1H3,(H,16,17)
InChIKeyULMJBRSZINMQKU-UHFFFAOYSA-N
MW410.70 g/mol
LogP3.97
Rot. Bonds4

About 4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 80980079) has the molecular formula C12H9BrClNO4S2 and a molecular weight of 410.70 g/mol. Its IUPAC name is 4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID80980079
Molecular FormulaC12H9BrClNO4S2
Molecular Weight410.70 g/mol
Exact Mass408.88
IUPAC Name4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H9BrClNO4S2/c1-6-11(5-10(20-6)12(16)17)21(18,19)15-9-3-2-7(14)4-8(9)13/h2-5,15H,1H3,(H,16,17)
InChIKeyULMJBRSZINMQKU-UHFFFAOYSA-N
XLogP3.97
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.70
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327927
5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43351434
5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82745764
5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 80970423
5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 81260387
4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327978
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576
4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328289
5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 81252515
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026864
2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 81260465

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 80980079) is 4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of 4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is ULMJBRSZINMQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO4S2/c1-6-11(5-10(20-6)12(16)17)21(18,19)15-9-3-2-7(14)4-8(9)13/h2-5,15H,1H3,(H,16,17).
What are the key properties of 4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 410.70 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 80980079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).