N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide

C16H16N2O2S — CID 60522673

IUPACN-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide
SMILESCc1cccc(CN(c2ccc(C#N)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H16N2O2S/c1-13-4-3-5-15(10-13)12-18(21(2,19)20)16-8-6-14(11-17)7-9-16/h3-10H,12H2,1-2H3
InChIKeyMNQHDODBTMAOGO-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.83
Rot. Bonds4

About N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide

N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide (PubChem CID 60522673) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide
PubChem CID60522673
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide
SMILESCc1cccc(CN(c2ccc(C#N)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H16N2O2S/c1-13-4-3-5-15(10-13)12-18(21(2,19)20)16-8-6-14(11-17)7-9-16/h3-10H,12H2,1-2H3
InChIKeyMNQHDODBTMAOGO-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

Analyze N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 60522601
2-(4-cyano-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113157363
N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide
CID 163316015
N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide
CID 967645
N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 42842072
N-(4-cyanophenyl)methanesulfonohydrazide
CID 163198401
N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide
CID 113157361
4-[(3-methylphenyl)methoxy]benzonitrile
CID 2226315
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
N-(3-cyanophenyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]methanesulfonamide
CID 78881193
3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113147040
N-(3-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1320912

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide (CID 60522673) is N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide is Cc1cccc(CN(c2ccc(C#N)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide?
The InChIKey is MNQHDODBTMAOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-13-4-3-5-15(10-13)12-18(21(2,19)20)16-8-6-14(11-17)7-9-16/h3-10H,12H2,1-2H3.
What are the key properties of N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide?
N-(4-cyanophenyl)-N-[(3-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-[(3-methylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 60522673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).