N-(4-methylsulfonylphenyl)-2-phenylbenzamide

C20H17NO3S — CID 47005035

IUPACN-(4-methylsulfonylphenyl)-2-phenylbenzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C20H17NO3S/c1-25(23,24)17-13-11-16(12-14-17)21-20(22)19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-14H,1H3,(H,21,22)
InChIKeyRLHSCONNLMTSSJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.01
Rot. Bonds4

About N-(4-methylsulfonylphenyl)-2-phenylbenzamide

N-(4-methylsulfonylphenyl)-2-phenylbenzamide (PubChem CID 47005035) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-2-phenylbenzamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-2-phenylbenzamide
PubChem CID47005035
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC NameN-(4-methylsulfonylphenyl)-2-phenylbenzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C20H17NO3S/c1-25(23,24)17-13-11-16(12-14-17)21-20(22)19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-14H,1H3,(H,21,22)
InChIKeyRLHSCONNLMTSSJ-UHFFFAOYSA-N
XLogP4.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909
4-[(2-phenylbenzoyl)carbamothioylamino]benzenesulfonic acid
CID 171390812
2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 29268979
2-phenyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 31812149
5-[2-(benzylcarbamoyl)phenyl]-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 142762448
2-(4-chlorophenyl)-N-phenylbenzamide
CID 102340259
1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 59136445
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
N-[4-(cyclopropylcarbamoyl)phenyl]-2-phenylbenzamide
CID 51299795
tert-butyl N-[4-[(2-phenylbenzoyl)amino]phenyl]carbamate;2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 70132915
2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid
CID 1113667

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-2-phenylbenzamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-2-phenylbenzamide (CID 47005035) is N-(4-methylsulfonylphenyl)-2-phenylbenzamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-2-phenylbenzamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-2-phenylbenzamide is CS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-2-phenylbenzamide?
The InChIKey is RLHSCONNLMTSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-25(23,24)17-13-11-16(12-14-17)21-20(22)19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-14H,1H3,(H,21,22).
What are the key properties of N-(4-methylsulfonylphenyl)-2-phenylbenzamide?
N-(4-methylsulfonylphenyl)-2-phenylbenzamide has a molecular weight of 351.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-2-phenylbenzamide is sourced from PubChem (CID 47005035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).