N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide

C16H16N2O2S — CID 29299050

IUPACN-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C16H16N2O2S/c1-18(12-14-7-3-2-4-8-14)21(19,20)13-16-10-6-5-9-15(16)11-17/h2-10H,12-13H2,1H3
InChIKeyJHPFLQDABIDEDU-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.52
Rot. Bonds5

About N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide

N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide (PubChem CID 29299050) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide
PubChem CID29299050
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C16H16N2O2S/c1-18(12-14-7-3-2-4-8-14)21(19,20)13-16-10-6-5-9-15(16)11-17/h2-10H,12-13H2,1H3
InChIKeyJHPFLQDABIDEDU-UHFFFAOYSA-N
XLogP2.52
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide
CID 43268883
4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide
CID 43256233
3-[(2-cyanophenyl)methylsulfonyl-propan-2-ylamino]propanoic acid
CID 60830012
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide
CID 103604458
N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide
CID 2695392
2-(2,2,2-trifluoroethylsulfonylmethyl)benzonitrile
CID 167686431
2-cyano-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420467
N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 55531353
N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide
CID 63286913
(2-cyanophenyl)methyl methanesulfonate
CID 107936439
2-(butan-2-ylsulfonylmethyl)benzonitrile
CID 64691415

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide (CID 29299050) is N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide is CN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1C#N.
What is the InChIKey of N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide?
The InChIKey is JHPFLQDABIDEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18(12-14-7-3-2-4-8-14)21(19,20)13-16-10-6-5-9-15(16)11-17/h2-10H,12-13H2,1H3.
What are the key properties of N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide?
N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 29299050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).