4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid

C12H8ClNO3S — CID 43091739

IUPAC4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H8ClNO3S/c13-10-6-5-9(18-10)11(15)14-8-3-1-7(2-4-8)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyRMQXTZBTBLIWQX-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.35
Rot. Bonds3

About 4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid

4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid (PubChem CID 43091739) has the molecular formula C12H8ClNO3S and a molecular weight of 281.72 g/mol. Its IUPAC name is 4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
PubChem CID43091739
Molecular FormulaC12H8ClNO3S
Molecular Weight281.72 g/mol
Exact Mass280.99
IUPAC Name4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H8ClNO3S/c13-10-6-5-9(18-10)11(15)14-8-3-1-7(2-4-8)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyRMQXTZBTBLIWQX-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

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Related Compounds

1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250444
4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 43358268
5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 4802431
5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide
CID 82884384
3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 63742413
5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 60707242
5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
CID 112524186
5-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9219442
5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 17435952
5-chloro-N-(4-cyclopentyloxyphenyl)thiophene-2-carboxamide
CID 38454806
4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid
CID 86231405
5-chloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-2-carboxamide
CID 63252721

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid (CID 43091739) is 4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is RMQXTZBTBLIWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3S/c13-10-6-5-9(18-10)11(15)14-8-3-1-7(2-4-8)12(16)17/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid?
4-[(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 4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43091739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).