N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride

C13H19ClF2N2O2S — CID 119986072

IUPACN-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCCC1NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2O2S.ClH/c14-10-5-11(15)7-12(6-10)20(18,19)17-13-4-2-1-3-9(13)8-16;/h5-7,9,13,17H,1-4,8,16H2;1H
InChIKeyANDJLNRKFYSNTO-UHFFFAOYSA-N
MW340.82 g/mol
LogP2.18
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride (PubChem CID 119986072) has the molecular formula C13H19ClF2N2O2S and a molecular weight of 340.82 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
PubChem CID119986072
Molecular FormulaC13H19ClF2N2O2S
Molecular Weight340.82 g/mol
Exact Mass340.08
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCCC1NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2O2S.ClH/c14-10-5-11(15)7-12(6-10)20(18,19)17-13-4-2-1-3-9(13)8-16;/h5-7,9,13,17H,1-4,8,16H2;1H
InChIKeyANDJLNRKFYSNTO-UHFFFAOYSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzenesulfonamide
CID 119986443
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoro-5-nitrobenzenesulfonamide
CID 99815993
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide
CID 129368623
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
dimethyl 5-[[2-(aminomethyl)cyclohexyl]sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119986267
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120711138
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide;hydrochloride
CID 119985739
3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358757
N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119985813
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119986255

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride (CID 119986072) is N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride is Cl.NCC1CCCCC1NS(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride?
The InChIKey is ANDJLNRKFYSNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S.ClH/c14-10-5-11(15)7-12(6-10)20(18,19)17-13-4-2-1-3-9(13)8-16;/h5-7,9,13,17H,1-4,8,16H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride has a molecular weight of 340.82 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119986072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).