4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide

C12H12FN3O2S — CID 62735276

IUPAC4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ncccc2F)cc1
InChIInChI=1S/C12H12FN3O2S/c13-11-2-1-7-15-12(11)16-8-9-3-5-10(6-4-9)19(14,17)18/h1-7H,8H2,(H,15,16)(H2,14,17,18)
InChIKeyNCMYFSJLDTVUNG-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.48
Rot. Bonds4

About 4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide

4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide (PubChem CID 62735276) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide
PubChem CID62735276
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ncccc2F)cc1
InChIInChI=1S/C12H12FN3O2S/c13-11-2-1-7-15-12(11)16-8-9-3-5-10(6-4-9)19(14,17)18/h1-7H,8H2,(H,15,16)(H2,14,17,18)
InChIKeyNCMYFSJLDTVUNG-UHFFFAOYSA-N
XLogP1.48
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide 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 4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide (CID 62735276) is 4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2ncccc2F)cc1.
What is the InChIKey of 4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide?
The InChIKey is NCMYFSJLDTVUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c13-11-2-1-7-15-12(11)16-8-9-3-5-10(6-4-9)19(14,17)18/h1-7H,8H2,(H,15,16)(H2,14,17,18).
What are the key properties of 4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide?
4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 62735276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).