N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride

C14H21Cl3N2O2S — CID 119986380

IUPACN-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCC1CCCCC1NS(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2O2S.ClH/c15-12-5-3-6-13(16)11(12)9-21(19,20)18-14-7-2-1-4-10(14)8-17;/h3,5-6,10,14,18H,1-2,4,7-9,17H2;1H
InChIKeyVYSKQOMRTYTEGE-UHFFFAOYSA-N
MW387.76 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride (PubChem CID 119986380) has the molecular formula C14H21Cl3N2O2S and a molecular weight of 387.76 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
PubChem CID119986380
Molecular FormulaC14H21Cl3N2O2S
Molecular Weight387.76 g/mol
Exact Mass386.04
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCC1CCCCC1NS(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2O2S.ClH/c15-12-5-3-6-13(16)11(12)9-21(19,20)18-14-7-2-1-4-10(14)8-17;/h3,5-6,10,14,18H,1-2,4,7-9,17H2;1H
InChIKeyVYSKQOMRTYTEGE-UHFFFAOYSA-N
XLogP3.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.76
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119985751
N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride
CID 120711063
N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119986199
N-[2-(aminomethyl)cyclopentyl]-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120711092
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride
CID 119986179
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120711198
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-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581
N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 122150367
methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate
CID 119985769

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride (CID 119986380) is N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride is Cl.NCC1CCCCC1NS(=O)(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride?
The InChIKey is VYSKQOMRTYTEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S.ClH/c15-12-5-3-6-13(16)11(12)9-21(19,20)18-14-7-2-1-4-10(14)8-17;/h3,5-6,10,14,18H,1-2,4,7-9,17H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride has a molecular weight of 387.76 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119986380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).