N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide

C12H16F2N2O2S — CID 106125576

IUPACN-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide
SMILESNC1CCC(CNS(=O)(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C12H16F2N2O2S/c13-9-2-4-12(11(14)6-9)19(17,18)16-7-8-1-3-10(15)5-8/h2,4,6,8,10,16H,1,3,5,7,15H2
InChIKeyOHVPWNAJXXYRIK-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.37
Rot. Bonds4

About N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide

N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide (PubChem CID 106125576) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide
PubChem CID106125576
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC NameN-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide
SMILESNC1CCC(CNS(=O)(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C12H16F2N2O2S/c13-9-2-4-12(11(14)6-9)19(17,18)16-7-8-1-3-10(15)5-8/h2,4,6,8,10,16H,1,3,5,7,15H2
InChIKeyOHVPWNAJXXYRIK-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide 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

2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110875681
2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000293
N-[(3-chlorocyclohexyl)methyl]-2,5-difluorobenzenesulfonamide
CID 106135987
N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106136234
2,4-difluoro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 16919575
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 79190650
N-[(3-aminocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 114146770
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide
CID 82736170
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977027
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
N-[(3-bromocyclohexyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 106135863

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide (CID 106125576) is N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide is NC1CCC(CNS(=O)(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is OHVPWNAJXXYRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c13-9-2-4-12(11(14)6-9)19(17,18)16-7-8-1-3-10(15)5-8/h2,4,6,8,10,16H,1,3,5,7,15H2.
What are the key properties of N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide?
N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 106125576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).