N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride

C12H17ClF2N2O2S — CID 119970454

IUPACN-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1CCC(NS(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C12H16F2N2O2S.ClH/c13-10-2-1-3-11(14)12(10)19(17,18)16-9-6-4-8(15)5-7-9;/h1-3,8-9,16H,4-7,15H2;1H
InChIKeyREKYCLJAIGYAIJ-UHFFFAOYSA-N
MW326.80 g/mol
LogP1.93
Rot. Bonds3

About N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride

N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride (PubChem CID 119970454) has the molecular formula C12H17ClF2N2O2S and a molecular weight of 326.80 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride
PubChem CID119970454
Molecular FormulaC12H17ClF2N2O2S
Molecular Weight326.80 g/mol
Exact Mass326.07
IUPAC NameN-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1CCC(NS(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C12H16F2N2O2S.ClH/c13-10-2-1-3-11(14)12(10)19(17,18)16-9-6-4-8(15)5-7-9;/h1-3,8-9,16H,4-7,15H2;1H
InChIKeyREKYCLJAIGYAIJ-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809042
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545218
3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030948
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide
CID 71685677
N-(3-aminocyclopentyl)-2-fluorobenzenesulfonamide
CID 115272790
N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119970709
2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984042
2,6-difluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984043
N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 119970503
2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide
CID 55189317
N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide
CID 62314743

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride (CID 119970454) is N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride is Cl.NC1CCC(NS(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride?
The InChIKey is REKYCLJAIGYAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S.ClH/c13-10-2-1-3-11(14)12(10)19(17,18)16-9-6-4-8(15)5-7-9;/h1-3,8-9,16H,4-7,15H2;1H.
What are the key properties of N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride?
N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2,6-difluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119970454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).