1-(2-cyanophenyl)-N-methylmethanesulfonamide

C9H10N2O2S — CID 9106555

IUPAC1-(2-cyanophenyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C9H10N2O2S/c1-11-14(12,13)7-9-5-3-2-4-8(9)6-10/h2-5,11H,7H2,1H3
InChIKeyWNDNPRAXAXKVGM-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.61
Rot. Bonds3

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

1-(2-cyanophenyl)-N-methylmethanesulfonamide (PubChem CID 9106555) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-methylmethanesulfonamide
PubChem CID9106555
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name1-(2-cyanophenyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C9H10N2O2S/c1-11-14(12,13)7-9-5-3-2-4-8(9)6-10/h2-5,11H,7H2,1H3
InChIKeyWNDNPRAXAXKVGM-UHFFFAOYSA-N
XLogP0.61
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyanophenyl)-N-methylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-methylmethanesulfonamide (CID 9106555) is 1-(2-cyanophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccccc1C#N.
What is the InChIKey of 1-(2-cyanophenyl)-N-methylmethanesulfonamide?
The InChIKey is WNDNPRAXAXKVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-11-14(12,13)7-9-5-3-2-4-8(9)6-10/h2-5,11H,7H2,1H3.
What are the key properties of 1-(2-cyanophenyl)-N-methylmethanesulfonamide?
1-(2-cyanophenyl)-N-methylmethanesulfonamide has a molecular weight of 210.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 9106555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).