2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide

C15H14ClNO2S — CID 51166452

IUPAC2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc(C)cc2O)c1
InChIInChI=1S/C15H14ClNO2S/c1-9-3-6-13(14(18)7-9)17-15(19)11-8-10(20-2)4-5-12(11)16/h3-8,18H,1-2H3,(H,17,19)
InChIKeyWYPGYRMHVWFOJK-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.33
Rot. Bonds3

About 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide

2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide (PubChem CID 51166452) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide
PubChem CID51166452
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc(C)cc2O)c1
InChIInChI=1S/C15H14ClNO2S/c1-9-3-6-13(14(18)7-9)17-15(19)11-8-10(20-2)4-5-12(11)16/h3-8,18H,1-2H3,(H,17,19)
InChIKeyWYPGYRMHVWFOJK-UHFFFAOYSA-N
XLogP4.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide
CID 2527802
2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
CID 834469
[4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-3-methylphenyl] thiocyanate
CID 822764
4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 3359174
N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568
2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171
N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148805
4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
CID 38957688
N-[2-(bromomethyl)phenyl]-2-chloro-5-methylsulfanylbenzamide
CID 114309537
2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide
CID 19394269
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide
CID 60727615
N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide
CID 103769569

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide (CID 51166452) is 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)Nc2ccc(C)cc2O)c1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide?
The InChIKey is WYPGYRMHVWFOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-9-3-6-13(14(18)7-9)17-15(19)11-8-10(20-2)4-5-12(11)16/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide?
2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide has a molecular weight of 307.80 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 51166452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).