2-(2-phenylsulfanylanilino)benzoic acid

C19H15NO2S — CID 44521004

IUPAC2-(2-phenylsulfanylanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H15NO2S/c21-19(22)15-10-4-5-11-16(15)20-17-12-6-7-13-18(17)23-14-8-2-1-3-9-14/h1-13,20H,(H,21,22)
InChIKeyVEFHZIPWUYQWBG-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.28
Rot. Bonds5

About 2-(2-phenylsulfanylanilino)benzoic acid

2-(2-phenylsulfanylanilino)benzoic acid (PubChem CID 44521004) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(2-phenylsulfanylanilino)benzoic acid.

Molecular Properties

Compound Name2-(2-phenylsulfanylanilino)benzoic acid
PubChem CID44521004
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name2-(2-phenylsulfanylanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H15NO2S/c21-19(22)15-10-4-5-11-16(15)20-17-12-6-7-13-18(17)23-14-8-2-1-3-9-14/h1-13,20H,(H,21,22)
InChIKeyVEFHZIPWUYQWBG-UHFFFAOYSA-N
XLogP5.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Phenylanthranilic Acid
CID 4386
2-(Benzoylamino)benzoic acid
CID 68482
Diphenylamine-2,2'-dicarboxylic acid
CID 11371
N-(3-Methylphenyl)anthranilic acid
CID 85472
N-(4-Methylphenyl)anthranilic acid
CID 152155
2-(Thiophene-2-amido)benzoic acid
CID 643302
Flutiazin
CID 23647
2-[(2-Phenylphenyl)amino]benzoic acid
CID 12166386
2-(Diphenylamino)benzoic acid
CID 231296
Anthranilic acid, N-(p-((difluoromethyl)thio)phenyl)-
CID 2060602
2-[(4-Fluorophenyl)amino]benzoic acid
CID 120159
Anthranilic acid, N-(o-fluorophenyl)-
CID 120157

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylanilino)benzoic acid?
The IUPAC name of 2-(2-phenylsulfanylanilino)benzoic acid (CID 44521004) is 2-(2-phenylsulfanylanilino)benzoic acid.
What is the SMILES notation for 2-(2-phenylsulfanylanilino)benzoic acid?
The canonical SMILES for 2-(2-phenylsulfanylanilino)benzoic acid is O=C(O)c1ccccc1Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(2-phenylsulfanylanilino)benzoic acid?
The InChIKey is VEFHZIPWUYQWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c21-19(22)15-10-4-5-11-16(15)20-17-12-6-7-13-18(17)23-14-8-2-1-3-9-14/h1-13,20H,(H,21,22).
What are the key properties of 2-(2-phenylsulfanylanilino)benzoic acid?
2-(2-phenylsulfanylanilino)benzoic acid has a molecular weight of 321.40 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylanilino)benzoic acid is sourced from PubChem (CID 44521004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).