N-(3-acetylphenyl)-2-methylsulfonylbenzamide

C16H15NO4S — CID 2522636

IUPACN-(3-acetylphenyl)-2-methylsulfonylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C16H15NO4S/c1-11(18)12-6-5-7-13(10-12)17-16(19)14-8-3-4-9-15(14)22(2,20)21/h3-10H,1-2H3,(H,17,19)
InChIKeyCDVCOTQAQZZHII-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.55
Rot. Bonds4

About N-(3-acetylphenyl)-2-methylsulfonylbenzamide

N-(3-acetylphenyl)-2-methylsulfonylbenzamide (PubChem CID 2522636) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-methylsulfonylbenzamide
PubChem CID2522636
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC NameN-(3-acetylphenyl)-2-methylsulfonylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C16H15NO4S/c1-11(18)12-6-5-7-13(10-12)17-16(19)14-8-3-4-9-15(14)22(2,20)21/h3-10H,1-2H3,(H,17,19)
InChIKeyCDVCOTQAQZZHII-UHFFFAOYSA-N
XLogP2.55
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzamide
CID 7565546
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide
CID 38154380
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide
CID 126346371
N-(3-acetylphenyl)-2-propoxybenzamide
CID 4947871
N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1361093
ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate
CID 51211880
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
N-hydroxy-2-methylsulfonylbenzamide
CID 20613410
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7267001

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(3-acetylphenyl)-2-methylsulfonylbenzamide (CID 2522636) is N-(3-acetylphenyl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(3-acetylphenyl)-2-methylsulfonylbenzamide is CC(=O)c1cccc(NC(=O)c2ccccc2S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-methylsulfonylbenzamide?
The InChIKey is CDVCOTQAQZZHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-11(18)12-6-5-7-13(10-12)17-16(19)14-8-3-4-9-15(14)22(2,20)21/h3-10H,1-2H3,(H,17,19).
What are the key properties of N-(3-acetylphenyl)-2-methylsulfonylbenzamide?
N-(3-acetylphenyl)-2-methylsulfonylbenzamide has a molecular weight of 317.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-methylsulfonylbenzamide is sourced from PubChem (CID 2522636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).