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

C12H8ClNO4S — CID 43358268

IUPAC4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClNO4S/c13-10-4-3-9(19-10)11(16)14-6-1-2-7(12(17)18)8(15)5-6/h1-5,15H,(H,14,16)(H,17,18)
InChIKeyMEJPUYKNIOCTML-UHFFFAOYSA-N
MW297.72 g/mol
LogP3.06
Rot. Bonds3

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

4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 43358268) has the molecular formula C12H8ClNO4S and a molecular weight of 297.72 g/mol. Its IUPAC name is 4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID43358268
Molecular FormulaC12H8ClNO4S
Molecular Weight297.72 g/mol
Exact Mass296.99
IUPAC Name4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClNO4S/c13-10-4-3-9(19-10)11(16)14-6-1-2-7(12(17)18)8(15)5-6/h1-5,15H,(H,14,16)(H,17,18)
InChIKeyMEJPUYKNIOCTML-UHFFFAOYSA-N
XLogP3.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide
CID 82884384
2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030920
4-[(5-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 82877635
4-[[2-[(5-chlorothiophene-2-carbonyl)amino]-2-methylpropanoyl]amino]-2-methylbenzoic acid
CID 68637770
4-[[3-[(4-carboxy-3-hydroxyphenyl)carbamoyl]-2,5-dihydroxybenzoyl]amino]-2-hydroxybenzoic acid
CID 156760534
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
4-benzamidosalicylic acid, calcium salt
CID 126959845
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214129
2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid
CID 78980996
calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid (CID 43358268) is 4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid is O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(Cl)s1.
What is the InChIKey of 4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is MEJPUYKNIOCTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO4S/c13-10-4-3-9(19-10)11(16)14-6-1-2-7(12(17)18)8(15)5-6/h1-5,15H,(H,14,16)(H,17,18).
What are the key properties of 4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid?
4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 297.72 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 43358268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).