6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide

C13H14FN3O2S — CID 114613015

IUPAC6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H14FN3O2S/c14-11-3-1-10(2-4-11)8-17-20(18,19)13-6-5-12(7-15)16-9-13/h1-6,9,17H,7-8,15H2
InChIKeyYYKCLHKDHXUMRL-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.16
Rot. Bonds5

About 6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide

6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide (PubChem CID 114613015) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide
PubChem CID114613015
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H14FN3O2S/c14-11-3-1-10(2-4-11)8-17-20(18,19)13-6-5-12(7-15)16-9-13/h1-6,9,17H,7-8,15H2
InChIKeyYYKCLHKDHXUMRL-UHFFFAOYSA-N
XLogP1.16
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614024
6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
CID 114613762
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 43455024
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 62162273
6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide
CID 114613166
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate
CID 131742514

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide (CID 114613015) is 6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide is NCc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cn1.
What is the InChIKey of 6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is YYKCLHKDHXUMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-11-3-1-10(2-4-11)8-17-20(18,19)13-6-5-12(7-15)16-9-13/h1-6,9,17H,7-8,15H2.
What are the key properties of 6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide?
6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114613015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).