2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide

C15H15NO4S — CID 29268979

IUPAC2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1O
InChIInChI=1S/C15H15NO4S/c1-10-4-3-5-13(14(10)17)15(18)16-11-6-8-12(9-7-11)21(2,19)20/h3-9,17H,1-2H3,(H,16,18)
InChIKeyWYSUXWKVEDIBJF-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.36
Rot. Bonds3

About 2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide

2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide (PubChem CID 29268979) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
PubChem CID29268979
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1O
InChIInChI=1S/C15H15NO4S/c1-10-4-3-5-13(14(10)17)15(18)16-11-6-8-12(9-7-11)21(2,19)20/h3-9,17H,1-2H3,(H,16,18)
InChIKeyWYSUXWKVEDIBJF-UHFFFAOYSA-N
XLogP2.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 59136445
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
CID 61223601
methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]benzoate
CID 43422488
2,3-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 2814172
4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide
CID 67377491
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909
5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 59808198
N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 60682495
N-[4-(diethylsulfamoyl)phenyl]-2,3-dimethylbenzamide
CID 9415963
N-(4-methylsulfonylphenyl)-2-phenylbenzamide
CID 47005035

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide (CID 29268979) is 2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide is Cc1cccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide?
The InChIKey is WYSUXWKVEDIBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10-4-3-5-13(14(10)17)15(18)16-11-6-8-12(9-7-11)21(2,19)20/h3-9,17H,1-2H3,(H,16,18).
What are the key properties of 2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide?
2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide has a molecular weight of 305.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 29268979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).