5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid

C18H12ClNO3S — CID 66679603

IUPAC5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C18H12ClNO3S/c19-13-7-8-15(14(10-13)18(22)23)20-17(21)12-5-3-11(4-6-12)16-2-1-9-24-16/h1-10H,(H,20,21)(H,22,23)
InChIKeyHVFLMSZNLZOPNZ-UHFFFAOYSA-N
MW357.82 g/mol
LogP5.02
Rot. Bonds4

About 5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid

5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid (PubChem CID 66679603) has the molecular formula C18H12ClNO3S and a molecular weight of 357.82 g/mol. Its IUPAC name is 5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid
PubChem CID66679603
Molecular FormulaC18H12ClNO3S
Molecular Weight357.82 g/mol
Exact Mass357.02
IUPAC Name5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C18H12ClNO3S/c19-13-7-8-15(14(10-13)18(22)23)20-17(21)12-5-3-11(4-6-12)16-2-1-9-24-16/h1-10H,(H,20,21)(H,22,23)
InChIKeyHVFLMSZNLZOPNZ-UHFFFAOYSA-N
XLogP5.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.82
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid (CID 66679603) is 5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid is O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(-c2cccs2)cc1.
What is the InChIKey of 5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid?
The InChIKey is HVFLMSZNLZOPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO3S/c19-13-7-8-15(14(10-13)18(22)23)20-17(21)12-5-3-11(4-6-12)16-2-1-9-24-16/h1-10H,(H,20,21)(H,22,23).
What are the key properties of 5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid?
5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid has a molecular weight of 357.82 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-thiophen-2-ylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 66679603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).