N-benzyl-N-pyridin-2-ylmethanesulfonamide

C13H14N2O2S — CID 743396

IUPACN-benzyl-N-pyridin-2-ylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C13H14N2O2S/c1-18(16,17)15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyUKFJLXJWLOWHLK-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.05
Rot. Bonds4

About N-benzyl-N-pyridin-2-ylmethanesulfonamide

N-benzyl-N-pyridin-2-ylmethanesulfonamide (PubChem CID 743396) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-benzyl-N-pyridin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-pyridin-2-ylmethanesulfonamide
PubChem CID743396
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-benzyl-N-pyridin-2-ylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C13H14N2O2S/c1-18(16,17)15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyUKFJLXJWLOWHLK-UHFFFAOYSA-N
XLogP2.05
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-pyridin-2-ylmethanesulfonamide 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

CID 5587
CID 5587
CID 9066
CID 9066
CID 23362
CID 23362
CID 83053
CID 83053
CID 105097
CID 105097
CID 2830234
CID 2830234
CID 686648
CID 686648
CID 735815
CID 735815
CID 971434
CID 971434
CID 11000026
CID 11000026
CID 16267445
CID 16267445
CID 799959
CID 799959

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-pyridin-2-ylmethanesulfonamide?
The IUPAC name of N-benzyl-N-pyridin-2-ylmethanesulfonamide (CID 743396) is N-benzyl-N-pyridin-2-ylmethanesulfonamide.
What is the SMILES notation for N-benzyl-N-pyridin-2-ylmethanesulfonamide?
The canonical SMILES for N-benzyl-N-pyridin-2-ylmethanesulfonamide is CS(=O)(=O)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-N-pyridin-2-ylmethanesulfonamide?
The InChIKey is UKFJLXJWLOWHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-18(16,17)15(13-9-5-6-10-14-13)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of N-benzyl-N-pyridin-2-ylmethanesulfonamide?
N-benzyl-N-pyridin-2-ylmethanesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-pyridin-2-ylmethanesulfonamide is sourced from PubChem (CID 743396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).