N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride

C13H20ClFN2O2S — CID 119970709

IUPACN-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CCC(N)CC2)c(F)c1.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-9-2-7-13(12(14)8-9)19(17,18)16-11-5-3-10(15)4-6-11;/h2,7-8,10-11,16H,3-6,15H2,1H3;1H
InChIKeyQLCGOKBXOWIFPC-UHFFFAOYSA-N
MW322.83 g/mol
LogP2.10
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride

N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 119970709) has the molecular formula C13H20ClFN2O2S and a molecular weight of 322.83 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
PubChem CID119970709
Molecular FormulaC13H20ClFN2O2S
Molecular Weight322.83 g/mol
Exact Mass322.09
IUPAC NameN-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CCC(N)CC2)c(F)c1.Cl
InChIInChI=1S/C13H19FN2O2S.ClH/c1-9-2-7-13(12(14)8-9)19(17,18)16-11-5-3-10(15)4-6-11;/h2,7-8,10-11,16H,3-6,15H2,1H3;1H
InChIKeyQLCGOKBXOWIFPC-UHFFFAOYSA-N
XLogP2.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 119970503
N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119970980
2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120585737
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119970652
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119970454
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
N-(3-aminocyclopentyl)-2-fluorobenzenesulfonamide
CID 115272790
N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119970502
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride (CID 119970709) is N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NC2CCC(N)CC2)c(F)c1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is QLCGOKBXOWIFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S.ClH/c1-9-2-7-13(12(14)8-9)19(17,18)16-11-5-3-10(15)4-6-11;/h2,7-8,10-11,16H,3-6,15H2,1H3;1H.
What are the key properties of N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride?
N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 322.83 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119970709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).