N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide

C27H23NO3S — CID 86961326

IUPACN-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide
SMILESO=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C27H23NO3S/c29-27(26-17-8-7-16-25(26)23-13-5-2-6-14-23)28-24-15-9-12-22(18-24)20-32(30,31)19-21-10-3-1-4-11-21/h1-18H,19-20H2,(H,28,29)
InChIKeyVEIQJXOSXVKAIS-UHFFFAOYSA-N
MW441.55 g/mol
LogP5.72
Rot. Bonds7

About N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide

N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide (PubChem CID 86961326) has the molecular formula C27H23NO3S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide
PubChem CID86961326
Molecular FormulaC27H23NO3S
Molecular Weight441.55 g/mol
Exact Mass441.14
IUPAC NameN-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide
SMILESO=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1-c1ccccc1
InChIInChI=1S/C27H23NO3S/c29-27(26-17-8-7-16-25(26)23-13-5-2-6-14-23)28-24-15-9-12-22(18-24)20-32(30,31)19-21-10-3-1-4-11-21/h1-18H,19-20H2,(H,28,29)
InChIKeyVEIQJXOSXVKAIS-UHFFFAOYSA-N
XLogP5.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.55
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylaminomethyl)phenyl]-2-phenylbenzamide
CID 38755706
2-phenyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 31812149
N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide
CID 47089077
3-amino-N-[3-(benzylsulfonylmethyl)phenyl]-2-methylbutanamide
CID 120501173
N-(4-methylsulfonylphenyl)-2-phenylbenzamide
CID 47005035
N-[3-(benzylsulfonylmethyl)phenyl]-2-(N-methylanilino)acetamide
CID 86962162
3-phenyl-N-[3-(sulfamoylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60610490
2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide
CID 110877152
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
CID 70145450
N-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-phenylbenzamide
CID 70144629
2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide
CID 86872640
N-[3-(benzylsulfonylmethyl)phenyl]-4-phenylsulfanylbutanamide
CID 86961330

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide?
The IUPAC name of N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide (CID 86961326) is N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide.
What is the SMILES notation for N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide?
The canonical SMILES for N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide is O=C(Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide?
The InChIKey is VEIQJXOSXVKAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3S/c29-27(26-17-8-7-16-25(26)23-13-5-2-6-14-23)28-24-15-9-12-22(18-24)20-32(30,31)19-21-10-3-1-4-11-21/h1-18H,19-20H2,(H,28,29).
What are the key properties of N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide?
N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide has a molecular weight of 441.55 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylsulfonylmethyl)phenyl]-2-phenylbenzamide is sourced from PubChem (CID 86961326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).