N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride

C13H19Cl3N2O2S — CID 119985751

IUPACN-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2S.ClH/c14-11-5-4-9(6-12(11)15)8-20(18,19)17-13-3-1-2-10(13)7-16;/h4-6,10,13,17H,1-3,7-8,16H2;1H
InChIKeyWPTZDRHBGVFKFO-UHFFFAOYSA-N
MW373.73 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride (PubChem CID 119985751) has the molecular formula C13H19Cl3N2O2S and a molecular weight of 373.73 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
PubChem CID119985751
Molecular FormulaC13H19Cl3N2O2S
Molecular Weight373.73 g/mol
Exact Mass372.02
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2S.ClH/c14-11-5-4-9(6-12(11)15)8-20(18,19)17-13-3-1-2-10(13)7-16;/h4-6,10,13,17H,1-3,7-8,16H2;1H
InChIKeyWPTZDRHBGVFKFO-UHFFFAOYSA-N
XLogP2.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119986199
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119986380
N-[2-(aminomethyl)cyclopentyl]-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581
N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120711122
N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780512
1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 106358787
N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride
CID 120711063
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 124690418
N-[2-(aminomethyl)cyclopentyl]-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120711092
1-(3-chloro-4-fluorophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide;hydrochloride
CID 120876608
N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide
CID 119986168

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride (CID 119985751) is N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride is Cl.NCC1CCCC1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride?
The InChIKey is WPTZDRHBGVFKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S.ClH/c14-11-5-4-9(6-12(11)15)8-20(18,19)17-13-3-1-2-10(13)7-16;/h4-6,10,13,17H,1-3,7-8,16H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride has a molecular weight of 373.73 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119985751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).