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

C13H20Cl2N2O2S — CID 119986050

IUPACN-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2S.ClH/c14-11-5-7-12(8-6-11)19(17,18)16-13-4-2-1-3-10(13)9-15;/h5-8,10,13,16H,1-4,9,15H2;1H
InChIKeyOFPHXRGMRKNOLU-UHFFFAOYSA-N
MW339.29 g/mol
LogP2.56
Rot. Bonds4

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

N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride (PubChem CID 119986050) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
PubChem CID119986050
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2S.ClH/c14-11-5-7-12(8-6-11)19(17,18)16-13-4-2-1-3-10(13)9-15;/h5-8,10,13,16H,1-4,9,15H2;1H
InChIKeyOFPHXRGMRKNOLU-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide
CID 97056156
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711169
N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119985851
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzenesulfonamide
CID 119986443
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 124690418
4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride
CID 119986423
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119986255
N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711162

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride (CID 119986050) is N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride is Cl.NCC1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride?
The InChIKey is OFPHXRGMRKNOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S.ClH/c14-11-5-7-12(8-6-11)19(17,18)16-13-4-2-1-3-10(13)9-15;/h5-8,10,13,16H,1-4,9,15H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride has a molecular weight of 339.29 g/mol, XLogP of 2.56, 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-chlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119986050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).