3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid

C12H7BrClNO3S — CID 114024343

IUPAC3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H7BrClNO3S/c13-8-5-6(14)1-2-7(8)11(16)15-9-3-4-19-10(9)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyWBKPGVQJKVSBFZ-UHFFFAOYSA-N
MW360.62 g/mol
LogP4.11
Rot. Bonds3

About 3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid

3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 114024343) has the molecular formula C12H7BrClNO3S and a molecular weight of 360.62 g/mol. Its IUPAC name is 3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID114024343
Molecular FormulaC12H7BrClNO3S
Molecular Weight360.62 g/mol
Exact Mass358.90
IUPAC Name3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H7BrClNO3S/c13-8-5-6(14)1-2-7(8)11(16)15-9-3-4-19-10(9)12(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyWBKPGVQJKVSBFZ-UHFFFAOYSA-N
XLogP4.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.62
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16771343
3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107986722
3-[(2,4-dichloro-5-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 43171762
3-[(5-bromo-2-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 65306036
3-[(2-bromo-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 81109933
3-[(3-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 107948948
5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 107986401
3-[(2,4-difluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16776930
2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 55083070
2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid
CID 107986716

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid (CID 114024343) is 3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid is O=C(Nc1ccsc1C(=O)O)c1ccc(Cl)cc1Br.
What is the InChIKey of 3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is WBKPGVQJKVSBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO3S/c13-8-5-6(14)1-2-7(8)11(16)15-9-3-4-19-10(9)12(17)18/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid?
3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 360.62 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-chlorobenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 114024343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).