2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid

C12H8ClNO3S — CID 43091729

IUPAC2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClNO3S/c13-10-6-5-9(18-10)11(15)14-8-4-2-1-3-7(8)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyOVYXQUAUFGTQPR-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.35
Rot. Bonds3

About 2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid

2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid (PubChem CID 43091729) has the molecular formula C12H8ClNO3S and a molecular weight of 281.72 g/mol. Its IUPAC name is 2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
PubChem CID43091729
Molecular FormulaC12H8ClNO3S
Molecular Weight281.72 g/mol
Exact Mass280.99
IUPAC Name2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClNO3S/c13-10-6-5-9(18-10)11(15)14-8-4-2-1-3-7(8)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyOVYXQUAUFGTQPR-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid (CID 43091729) is 2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is OVYXQUAUFGTQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3S/c13-10-6-5-9(18-10)11(15)14-8-4-2-1-3-7(8)12(16)17/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid?
2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 281.72 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43091729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).