N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide

C13H14N2O2S — CID 759581

IUPACN-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)nc1
InChIInChI=1S/C13H14N2O2S/c1-11-7-8-13(14-9-11)15-18(16,17)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,14,15)
InChIKeyKTXBZTSCUOGOFG-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.33
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide

N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide (PubChem CID 759581) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide
PubChem CID759581
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)nc1
InChIInChI=1S/C13H14N2O2S/c1-11-7-8-13(14-9-11)15-18(16,17)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,14,15)
InChIKeyKTXBZTSCUOGOFG-UHFFFAOYSA-N
XLogP2.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide 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 N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide (CID 759581) is N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide?
The InChIKey is KTXBZTSCUOGOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-11-7-8-13(14-9-11)15-18(16,17)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,14,15).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide?
N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 759581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).