3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide

C13H12F2N2O2S — CID 103299462

IUPAC3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H12F2N2O2S/c1-17(9-10-5-2-3-6-11(10)14)20(18,19)13-12(15)7-4-8-16-13/h2-8H,9H2,1H3
InChIKeyJPKJNVSCPOFUHH-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.18
Rot. Bonds4

About 3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide

3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide (PubChem CID 103299462) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
PubChem CID103299462
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H12F2N2O2S/c1-17(9-10-5-2-3-6-11(10)14)20(18,19)13-12(15)7-4-8-16-13/h2-8H,9H2,1H3
InChIKeyJPKJNVSCPOFUHH-UHFFFAOYSA-N
XLogP2.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305406
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103298452
N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299471
N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47267533
N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103299693
4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 103298703
6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391554
3-fluoro-N',N'-dimethylpyridine-2-sulfonohydrazide
CID 103300356
3-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103301059
N-ethyl-3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299977
3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide
CID 103299973
3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide
CID 103299752

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide (CID 103299462) is 3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide is CN(Cc1ccccc1F)S(=O)(=O)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide?
The InChIKey is JPKJNVSCPOFUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-17(9-10-5-2-3-6-11(10)14)20(18,19)13-12(15)7-4-8-16-13/h2-8H,9H2,1H3.
What are the key properties of 3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide?
3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 103299462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).