2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide

C13H12F2N2O2S — CID 47111106

IUPAC2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(F)cccc1F)c1cccnc1
InChIInChI=1S/C13H12F2N2O2S/c1-9(10-4-3-7-16-8-10)17-20(18,19)13-11(14)5-2-6-12(13)15/h2-9,17H,1H3
InChIKeyBHAKSLXPEFUJMS-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.40
Rot. Bonds4

About 2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide

2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 47111106) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID47111106
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(F)cccc1F)c1cccnc1
InChIInChI=1S/C13H12F2N2O2S/c1-9(10-4-3-7-16-8-10)17-20(18,19)13-11(14)5-2-6-12(13)15/h2-9,17H,1H3
InChIKeyBHAKSLXPEFUJMS-UHFFFAOYSA-N
XLogP2.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide 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

2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 18194304
2,4,5-trifluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95310179
3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 43397195
2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 35312001
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965
2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021137
2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694
2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 79588957

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide (CID 47111106) is 2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1c(F)cccc1F)c1cccnc1.
What is the InChIKey of 2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is BHAKSLXPEFUJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-9(10-4-3-7-16-8-10)17-20(18,19)13-11(14)5-2-6-12(13)15/h2-9,17H,1H3.
What are the key properties of 2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 47111106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).