(2-cyanophenyl)methanesulfonamide

C8H8N2O2S — CID 7131561

IUPAC(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(N)(=O)=O
InChIInChI=1S/C8H8N2O2S/c9-5-7-3-1-2-4-8(7)6-13(10,11)12/h1-4H,6H2,(H2,10,11,12)
InChIKeyJWFWNBJKHZPLAJ-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.35
Rot. Bonds2

About (2-cyanophenyl)methanesulfonamide

(2-cyanophenyl)methanesulfonamide (PubChem CID 7131561) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is (2-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound Name(2-cyanophenyl)methanesulfonamide
PubChem CID7131561
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(N)(=O)=O
InChIInChI=1S/C8H8N2O2S/c9-5-7-3-1-2-4-8(7)6-13(10,11)12/h1-4H,6H2,(H2,10,11,12)
InChIKeyJWFWNBJKHZPLAJ-UHFFFAOYSA-N
XLogP0.35
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-cyanophenyl)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

Benzeneethanesulfonamide
CID 204808
3-Phenylpropane-1-sulfonamide
CID 12574638
5-Methyl-1,1-dioxo-3-phenyl-1,2,3,4-tetrahydro-1lambda~6~-thiine-2,6-dicarbonitrile
CID 2806103
1-(2-cyanophenyl)-N-isopropylmethanesulfonamide
CID 9118377
Benzenesulfonamide, p-(cyanomethyl)-
CID 199070
(4-Cyanophenyl)methanesulfonyl chloride
CID 15480555
(4-Cyanophenyl)methanesulfonamide
CID 7131562
(2,6-Dimethylphenyl)methanesulfonamide
CID 23161120
2-(Cyanomethyl)benzene-1-sulfonamide
CID 21491997
(4-Fluoro-2-methylphenyl)methanesulfonamide
CID 62135164
1-(2-cyanophenyl)-N-methylmethanesulfonamide
CID 9106555
1-Phenylethane-1-sulfonamide
CID 11275445

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methanesulfonamide?
The IUPAC name of (2-cyanophenyl)methanesulfonamide (CID 7131561) is (2-cyanophenyl)methanesulfonamide.
What is the SMILES notation for (2-cyanophenyl)methanesulfonamide?
The canonical SMILES for (2-cyanophenyl)methanesulfonamide is N#Cc1ccccc1CS(N)(=O)=O.
What is the InChIKey of (2-cyanophenyl)methanesulfonamide?
The InChIKey is JWFWNBJKHZPLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c9-5-7-3-1-2-4-8(7)6-13(10,11)12/h1-4H,6H2,(H2,10,11,12).
What are the key properties of (2-cyanophenyl)methanesulfonamide?
(2-cyanophenyl)methanesulfonamide has a molecular weight of 196.23 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 7131561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).