N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C14H19ClF4N2O2S — CID 120584913

IUPACN-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C14H18F4N2O2S.ClH/c15-12-6-5-10(7-11(12)14(16,17)18)23(21,22)20-13(8-19)9-3-1-2-4-9;/h5-7,9,13,20H,1-4,8,19H2;1H
InChIKeyACTDNHFCVAWYCG-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.06
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120584913) has the molecular formula C14H19ClF4N2O2S and a molecular weight of 390.83 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120584913
Molecular FormulaC14H19ClF4N2O2S
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC NameN-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C14H18F4N2O2S.ClH/c15-12-6-5-10(7-11(12)14(16,17)18)23(21,22)20-13(8-19)9-3-1-2-4-9;/h5-7,9,13,20H,1-4,8,19H2;1H
InChIKeyACTDNHFCVAWYCG-UHFFFAOYSA-N
XLogP3.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride 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

N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120585169
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide
CID 119983686
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326
N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 106737796
N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
CID 120584824
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120584913) is N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is ACTDNHFCVAWYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O2S.ClH/c15-12-6-5-10(7-11(12)14(16,17)18)23(21,22)20-13(8-19)9-3-1-2-4-9;/h5-7,9,13,20H,1-4,8,19H2;1H.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 390.83 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120584913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).