N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride

C14H21ClF2N2O2S — CID 119983602

IUPACN-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cc(F)ccc1F)C1CCCCC1
InChIInChI=1S/C14H20F2N2O2S.ClH/c15-11-6-7-12(16)14(8-11)21(19,20)18-13(9-17)10-4-2-1-3-5-10;/h6-8,10,13,18H,1-5,9,17H2;1H
InChIKeyVNMYCSXBMKJVKT-UHFFFAOYSA-N
MW354.85 g/mol
LogP2.57
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride (PubChem CID 119983602) has the molecular formula C14H21ClF2N2O2S and a molecular weight of 354.85 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
PubChem CID119983602
Molecular FormulaC14H21ClF2N2O2S
Molecular Weight354.85 g/mol
Exact Mass354.10
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cc(F)ccc1F)C1CCCCC1
InChIInChI=1S/C14H20F2N2O2S.ClH/c15-11-6-7-12(16)14(8-11)21(19,20)18-13(9-17)10-4-2-1-3-5-10;/h6-8,10,13,18H,1-5,9,17H2;1H
InChIKeyVNMYCSXBMKJVKT-UHFFFAOYSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900
N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
CID 120584824
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780735
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326
N-(2-amino-1-cyclopropylethyl)-2,5-difluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86780743
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-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 84591204
N-[cyano(cyclohexyl)methyl]-2,5-difluorobenzenesulfonamide
CID 61122132
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride (CID 119983602) is N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1cc(F)ccc1F)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride?
The InChIKey is VNMYCSXBMKJVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S.ClH/c15-11-6-7-12(16)14(8-11)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)-2,5-difluorobenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride has a molecular weight of 354.85 g/mol, XLogP of 2.57, 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)-2,5-difluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119983602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).