N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide

C14H16N2O3S — CID 35389696

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
SMILESCOc1ncccc1CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H16N2O3S/c1-19-14-13(8-5-9-15-14)10-16-20(17,18)11-12-6-3-2-4-7-12/h2-9,16H,10-11H2,1H3
InChIKeyZLWRUJIFCJWODS-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.71
Rot. Bonds6

About N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide

N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide (PubChem CID 35389696) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
PubChem CID35389696
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
SMILESCOc1ncccc1CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H16N2O3S/c1-19-14-13(8-5-9-15-14)10-16-20(17,18)11-12-6-3-2-4-7-12/h2-9,16H,10-11H2,1H3
InChIKeyZLWRUJIFCJWODS-UHFFFAOYSA-N
XLogP1.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxy-3-pyridinyl)methyl]-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-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide (CID 35389696) is N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide is COc1ncccc1CNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is ZLWRUJIFCJWODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-19-14-13(8-5-9-15-14)10-16-20(17,18)11-12-6-3-2-4-7-12/h2-9,16H,10-11H2,1H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide?
N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 35389696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).