2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide

C13H19FN2O2S — CID 106064241

IUPAC2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1cc(F)ccc1CN
InChIInChI=1S/C13H19FN2O2S/c1-9-3-2-4-12(9)16-19(17,18)13-7-11(14)6-5-10(13)8-15/h5-7,9,12,16H,2-4,8,15H2,1H3
InChIKeyJOAGJZSLXDCRTB-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.75
Rot. Bonds4

About 2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide

2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide (PubChem CID 106064241) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
PubChem CID106064241
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1cc(F)ccc1CN
InChIInChI=1S/C13H19FN2O2S/c1-9-3-2-4-12(9)16-19(17,18)13-7-11(14)6-5-10(13)8-15/h5-7,9,12,16H,2-4,8,15H2,1H3
InChIKeyJOAGJZSLXDCRTB-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)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-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-5-fluorobenzenesulfonamide
CID 106060261
5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7343981
2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
CID 102921092
2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide
CID 102921048
5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide
CID 102920705
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288235
2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide
CID 114132163
N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
CID 62955173
3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide
CID 124513957

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide (CID 106064241) is 2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide is CC1CCCC1NS(=O)(=O)c1cc(F)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is JOAGJZSLXDCRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9-3-2-4-12(9)16-19(17,18)13-7-11(14)6-5-10(13)8-15/h5-7,9,12,16H,2-4,8,15H2,1H3.
What are the key properties of 2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide?
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 106064241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).