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

C15H15NO4S — CID 107671551

IUPAC4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
SMILESCc1cc(O)ccc1C(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H15NO4S/c1-10-9-12(17)5-8-14(10)15(18)16-11-3-6-13(7-4-11)21(2,19)20/h3-9,17H,1-2H3,(H,16,18)
InChIKeyNLNNJCIAVSAIHC-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.36
Rot. Bonds3

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

4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide (PubChem CID 107671551) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
PubChem CID107671551
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
SMILESCc1cc(O)ccc1C(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H15NO4S/c1-10-9-12(17)5-8-14(10)15(18)16-11-3-6-13(7-4-11)21(2,19)20/h3-9,17H,1-2H3,(H,16,18)
InChIKeyNLNNJCIAVSAIHC-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-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304
4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 107671539
2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 29268979
2-hydroxy-4-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 155988762
4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide
CID 67377491
N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671447
4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide
CID 103865733
3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 163720510
4-hydroxy-2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 107671338
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
2-amino-4-bromo-N-(4-methylsulfonylphenyl)benzamide
CID 79704047
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide (CID 107671551) is 4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide is Cc1cc(O)ccc1C(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide?
The InChIKey is NLNNJCIAVSAIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10-9-12(17)5-8-14(10)15(18)16-11-3-6-13(7-4-11)21(2,19)20/h3-9,17H,1-2H3,(H,16,18).
What are the key properties of 4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide?
4-hydroxy-2-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 4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 107671551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).