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

C14H20ClF3N2O2S — CID 120585169

IUPACN-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C14H19F3N2O2S.ClH/c15-14(16,17)11-5-7-12(8-6-11)22(20,21)19-13(9-18)10-3-1-2-4-10;/h5-8,10,13,19H,1-4,9,18H2;1H
InChIKeyJCFXVBYJJQPCFA-UHFFFAOYSA-N
MW372.84 g/mol
LogP2.92
Rot. Bonds5

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

N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120585169) has the molecular formula C14H20ClF3N2O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120585169
Molecular FormulaC14H20ClF3N2O2S
Molecular Weight372.84 g/mol
Exact Mass372.09
IUPAC NameN-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C14H19F3N2O2S.ClH/c15-14(16,17)11-5-7-12(8-6-11)22(20,21)19-13(9-18)10-3-1-2-4-10;/h5-8,10,13,19H,1-4,9,18H2;1H
InChIKeyJCFXVBYJJQPCFA-UHFFFAOYSA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
CID 65188828
N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120584913
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86820092
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 120713646
N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide
CID 120710791
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119986603
N-[4-[(2-amino-1-cyclopentylethyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 120585027

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120585169) is N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is JCFXVBYJJQPCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S.ClH/c15-14(16,17)11-5-7-12(8-6-11)22(20,21)19-13(9-18)10-3-1-2-4-10;/h5-8,10,13,19H,1-4,9,18H2;1H.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 372.84 g/mol, XLogP of 2.92, 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-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120585169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).