2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid

C15H13NO4S — CID 43353119

IUPAC2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
SMILESCSc1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H13NO4S/c1-21-11-5-2-9(3-6-11)14(18)16-10-4-7-13(17)12(8-10)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyNVGUIEXHSNJYPB-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.06
Rot. Bonds4

About 2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid

2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid (PubChem CID 43353119) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
PubChem CID43353119
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
SMILESCSc1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H13NO4S/c1-21-11-5-2-9(3-6-11)14(18)16-10-4-7-13(17)12(8-10)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyNVGUIEXHSNJYPB-UHFFFAOYSA-N
XLogP3.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 60748503
3-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43238382
ethane;2-hydroxy-5-methylsulfanylbenzoic acid
CID 142393561
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 86983037
N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
CID 113245194
5-[(4-butoxycarbonylbenzoyl)amino]-2-hydroxybenzoic acid
CID 152557915
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 104850638
N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide
CID 78984406
5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxybenzoic acid
CID 16776296

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid (CID 43353119) is 2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid is CSc1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid?
The InChIKey is NVGUIEXHSNJYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-21-11-5-2-9(3-6-11)14(18)16-10-4-7-13(17)12(8-10)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid?
2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid has a molecular weight of 303.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 43353119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).