N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide

C13H17F3N2O2S — CID 120584824

IUPACN-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1cc(F)c(F)cc1F)C1CCCC1
InChIInChI=1S/C13H17F3N2O2S/c14-9-5-11(16)13(6-10(9)15)21(19,20)18-12(7-17)8-3-1-2-4-8/h5-6,8,12,18H,1-4,7,17H2
InChIKeyWVKYOUVNNHHAEP-UHFFFAOYSA-N
MW322.35 g/mol
LogP1.90
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide

N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide (PubChem CID 120584824) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
PubChem CID120584824
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1cc(F)c(F)cc1F)C1CCCC1
InChIInChI=1S/C13H17F3N2O2S/c14-9-5-11(16)13(6-10(9)15)21(19,20)18-12(7-17)8-3-1-2-4-8/h5-6,8,12,18H,1-4,7,17H2
InChIKeyWVKYOUVNNHHAEP-UHFFFAOYSA-N
XLogP1.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2,5-difluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86780743
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 84591204
N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 106737796
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326
N-(2-amino-1-cyclopropylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527910
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
N-(2-amino-1-cyclohexylethyl)methanesulfonamide
CID 61122382
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide (CID 120584824) is N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide is NCC(NS(=O)(=O)c1cc(F)c(F)cc1F)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide?
The InChIKey is WVKYOUVNNHHAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c14-9-5-11(16)13(6-10(9)15)21(19,20)18-12(7-17)8-3-1-2-4-8/h5-6,8,12,18H,1-4,7,17H2.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide?
N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 1.90, 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)-2,4,5-trifluorobenzenesulfonamide is sourced from PubChem (CID 120584824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).