N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide

C13H18ClFN2O2S — CID 106737900

IUPACN-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1cc(F)ccc1Cl)C1CCCC1
InChIInChI=1S/C13H18ClFN2O2S/c14-11-6-5-10(15)7-13(11)20(18,19)17-12(8-16)9-3-1-2-4-9/h5-7,9,12,17H,1-4,8,16H2
InChIKeyVMWIEDQGIAPHIE-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.27
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide

N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 106737900) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID106737900
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1cc(F)ccc1Cl)C1CCCC1
InChIInChI=1S/C13H18ClFN2O2S/c14-11-6-5-10(15)7-13(11)20(18,19)17-12(8-16)9-3-1-2-4-9/h5-7,9,12,17H,1-4,8,16H2
InChIKeyVMWIEDQGIAPHIE-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780735
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
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-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119986989
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119986603
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
CID 120584824
N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120585133
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 106737796
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide (CID 106737900) is N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide is NCC(NS(=O)(=O)c1cc(F)ccc1Cl)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is VMWIEDQGIAPHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c14-11-6-5-10(15)7-13(11)20(18,19)17-12(8-16)9-3-1-2-4-9/h5-7,9,12,17H,1-4,8,16H2.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 320.82 g/mol, XLogP of 2.27, 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-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 106737900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).