N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide

C16H16N2O2S — CID 60522601

IUPACN-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccc(CN(c2ccc(C#N)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H16N2O2S/c1-13-3-5-15(6-4-13)12-18(21(2,19)20)16-9-7-14(11-17)8-10-16/h3-10H,12H2,1-2H3
InChIKeyPEIYJMQIBNGGNK-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.83
Rot. Bonds4

About N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide

N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide (PubChem CID 60522601) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide
PubChem CID60522601
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccc(CN(c2ccc(C#N)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H16N2O2S/c1-13-3-5-15(6-4-13)12-18(21(2,19)20)16-9-7-14(11-17)8-10-16/h3-10H,12H2,1-2H3
InChIKeyPEIYJMQIBNGGNK-UHFFFAOYSA-N
XLogP2.83
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide
CID 60522673
N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23912821
N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 91671619
N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141999
N-(4-cyanophenyl)methanesulfonohydrazide
CID 163198401
4-[N-benzyl-4-(N-benzyl-4-methylanilino)anilino]benzonitrile
CID 150089976
N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide
CID 163316015
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126031320
2-(4-cyano-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113157363
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
N-(3-cyanophenyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]methanesulfonamide
CID 78881193
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30128820

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide (CID 60522601) is N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide is Cc1ccc(CN(c2ccc(C#N)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide?
The InChIKey is PEIYJMQIBNGGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-13-3-5-15(6-4-13)12-18(21(2,19)20)16-9-7-14(11-17)8-10-16/h3-10H,12H2,1-2H3.
What are the key properties of N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide?
N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 60522601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).