N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride

C14H21Cl2FN2O2S — CID 119983782

IUPACN-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1ccc(F)cc1Cl)C1CCCCC1
InChIInChI=1S/C14H20ClFN2O2S.ClH/c15-12-8-11(16)6-7-14(12)21(19,20)18-13(9-17)10-4-2-1-3-5-10;/h6-8,10,13,18H,1-5,9,17H2;1H
InChIKeyZKTXZTODYRHFEZ-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.09
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride (PubChem CID 119983782) has the molecular formula C14H21Cl2FN2O2S and a molecular weight of 371.31 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
PubChem CID119983782
Molecular FormulaC14H21Cl2FN2O2S
Molecular Weight371.31 g/mol
Exact Mass370.07
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1ccc(F)cc1Cl)C1CCCCC1
InChIInChI=1S/C14H20ClFN2O2S.ClH/c15-12-8-11(16)6-7-14(12)21(19,20)18-13(9-17)10-4-2-1-3-5-10;/h6-8,10,13,18H,1-5,9,17H2;1H
InChIKeyZKTXZTODYRHFEZ-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900
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-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780735
N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 106737922
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326
N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120585133
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)-4-bromo-2-fluorobenzenesulfonamide
CID 106737796
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride
CID 119983682

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride (CID 119983782) is N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1ccc(F)cc1Cl)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is ZKTXZTODYRHFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S.ClH/c15-12-8-11(16)6-7-14(12)21(19,20)18-13(9-17)10-4-2-1-3-5-10;/h6-8,10,13,18H,1-5,9,17H2;1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 371.31 g/mol, XLogP of 3.09, 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-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119983782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).