N-(4-cyanophenyl)-1-phenylmethanesulfonamide

C14H12N2O2S — CID 798666

IUPACN-(4-cyanophenyl)-1-phenylmethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C14H12N2O2S/c15-10-12-6-8-14(9-7-12)16-19(17,18)11-13-4-2-1-3-5-13/h1-9,16H,11H2
InChIKeyVMBGDNJOKSZBJR-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.50
Rot. Bonds4

About N-(4-cyanophenyl)-1-phenylmethanesulfonamide

N-(4-cyanophenyl)-1-phenylmethanesulfonamide (PubChem CID 798666) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-phenylmethanesulfonamide
PubChem CID798666
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-(4-cyanophenyl)-1-phenylmethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C14H12N2O2S/c15-10-12-6-8-14(9-7-12)16-19(17,18)11-13-4-2-1-3-5-13/h1-9,16H,11H2
InChIKeyVMBGDNJOKSZBJR-UHFFFAOYSA-N
XLogP2.50
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide
CID 29275128
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
1-(4-cyanophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 29298688
1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide
CID 28513945
N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide
CID 113051393
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide
CID 43369627
methyl 4-(benzylsulfonylamino)benzoate
CID 743645
1-phenyl-N-(4-propan-2-ylsulfanylphenyl)methanesulfonamide
CID 110778693
N-(4-cyanophenyl)-2-[(4-cyanophenyl)sulfamoyl]acetamide
CID 138582531

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-1-phenylmethanesulfonamide (CID 798666) is N-(4-cyanophenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-1-phenylmethanesulfonamide is N#Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1-phenylmethanesulfonamide?
The InChIKey is VMBGDNJOKSZBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c15-10-12-6-8-14(9-7-12)16-19(17,18)11-13-4-2-1-3-5-13/h1-9,16H,11H2.
What are the key properties of N-(4-cyanophenyl)-1-phenylmethanesulfonamide?
N-(4-cyanophenyl)-1-phenylmethanesulfonamide has a molecular weight of 272.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 798666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).