N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride

C14H22ClFN2O2S — CID 119970652

IUPACN-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC2CCC(N)CC2)cc(C)c1F.Cl
InChIInChI=1S/C14H21FN2O2S.ClH/c1-9-7-13(8-10(2)14(9)15)20(18,19)17-12-5-3-11(16)4-6-12;/h7-8,11-12,17H,3-6,16H2,1-2H3;1H
InChIKeyDIOFJULWCZNJPX-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.41
Rot. Bonds3

About N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride

N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119970652) has the molecular formula C14H22ClFN2O2S and a molecular weight of 336.86 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119970652
Molecular FormulaC14H22ClFN2O2S
Molecular Weight336.86 g/mol
Exact Mass336.11
IUPAC NameN-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC2CCC(N)CC2)cc(C)c1F.Cl
InChIInChI=1S/C14H21FN2O2S.ClH/c1-9-7-13(8-10(2)14(9)15)20(18,19)17-12-5-3-11(16)4-6-12;/h7-8,11-12,17H,3-6,16H2,1-2H3;1H
InChIKeyDIOFJULWCZNJPX-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99819137
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3,5-dimethylbenzenesulfonamide
CID 119967835
3-amino-4-fluoro-5-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 115421285
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
3-amino-4-fluoro-5-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542872
N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 119970503
N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119970709
N-cyclopentyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide
CID 81435941
3-amino-4-fluoro-5-methyl-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 115421440
N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
3-amino-4-fluoro-5-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 115421592

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride (CID 119970652) is N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NC2CCC(N)CC2)cc(C)c1F.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is DIOFJULWCZNJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S.ClH/c1-9-7-13(8-10(2)14(9)15)20(18,19)17-12-5-3-11(16)4-6-12;/h7-8,11-12,17H,3-6,16H2,1-2H3;1H.
What are the key properties of N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride?
N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119970652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).