N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride

C13H19Cl2FN2O2S — CID 119986269

IUPACN-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H18ClFN2O2S.ClH/c14-10-5-6-13(11(15)7-10)20(18,19)17-12-4-2-1-3-9(12)8-16;/h5-7,9,12,17H,1-4,8,16H2;1H
InChIKeyVAKHQTRIWYIYOF-UHFFFAOYSA-N
MW357.28 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride (PubChem CID 119986269) has the molecular formula C13H19Cl2FN2O2S and a molecular weight of 357.28 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
PubChem CID119986269
Molecular FormulaC13H19Cl2FN2O2S
Molecular Weight357.28 g/mol
Exact Mass356.05
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H18ClFN2O2S.ClH/c14-10-5-6-13(11(15)7-10)20(18,19)17-12-4-2-1-3-9(12)8-16;/h5-7,9,12,17H,1-4,8,16H2;1H
InChIKeyVAKHQTRIWYIYOF-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
CID 62955173
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120711122
N-[2-(aminomethyl)cyclopentyl]-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide;hydrochloride
CID 119985739
4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106002905
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 119985898
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzenesulfonamide
CID 119986443
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride (CID 119986269) is N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride is Cl.NCC1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is VAKHQTRIWYIYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S.ClH/c14-10-5-6-13(11(15)7-10)20(18,19)17-12-4-2-1-3-9(12)8-16;/h5-7,9,12,17H,1-4,8,16H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 357.28 g/mol, XLogP of 2.70, 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]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119986269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).