6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide

C13H14FN3O2S — CID 114613769

IUPAC6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cccc(F)c1NS(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C13H14FN3O2S/c1-9-3-2-4-12(14)13(9)17-20(18,19)11-6-5-10(7-15)16-8-11/h2-6,8,17H,7,15H2,1H3
InChIKeyOSOLCIJWCVANGB-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.79
Rot. Bonds4

About 6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide

6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide (PubChem CID 114613769) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide
PubChem CID114613769
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cccc(F)c1NS(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C13H14FN3O2S/c1-9-3-2-4-12(14)13(9)17-20(18,19)11-6-5-10(7-15)16-8-11/h2-6,8,17H,7,15H2,1H3
InChIKeyOSOLCIJWCVANGB-UHFFFAOYSA-N
XLogP1.79
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28974793
5-(aminomethyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106083691
6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 114613294
6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 114613295
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705310
N-(2,6-dimethylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62143160
N-(2,6-dimethylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61328716
N-(2,6-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144941
6-amino-N-(2,3-difluorophenyl)pyridine-3-sulfonamide
CID 62147251
6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide
CID 114613015
6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 114613079
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide (CID 114613769) is 6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide is Cc1cccc(F)c1NS(=O)(=O)c1ccc(CN)nc1.
What is the InChIKey of 6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is OSOLCIJWCVANGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-9-3-2-4-12(14)13(9)17-20(18,19)11-6-5-10(7-15)16-8-11/h2-6,8,17H,7,15H2,1H3.
What are the key properties of 6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide?
6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114613769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).