N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride

C13H19Cl3N2O2S — CID 119980708

IUPACN-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCCC1
InChIInChI=1S/C13H18Cl2N2O2S.ClH/c14-11-5-10(6-12(15)7-11)8-20(18,19)17-13(9-16)3-1-2-4-13;/h5-7,17H,1-4,8-9,16H2;1H
InChIKeyWITHPTFNIWRVGT-UHFFFAOYSA-N
MW373.73 g/mol
LogP3.11
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride (PubChem CID 119980708) has the molecular formula C13H19Cl3N2O2S and a molecular weight of 373.73 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
PubChem CID119980708
Molecular FormulaC13H19Cl3N2O2S
Molecular Weight373.73 g/mol
Exact Mass372.02
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCCC1
InChIInChI=1S/C13H18Cl2N2O2S.ClH/c14-11-5-10(6-12(15)7-11)8-20(18,19)17-13(9-16)3-1-2-4-13;/h5-7,17H,1-4,8-9,16H2;1H
InChIKeyWITHPTFNIWRVGT-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 119980791
N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980855
N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide
CID 120710186
N-[1-(aminomethyl)cyclopentyl]-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119980929
1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride
CID 120720466
3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62521842
1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide
CID 71852262
1-(3,5-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide;hydrochloride
CID 119972960
N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
CID 64989622
N-[1-(aminomethyl)cyclohexyl]butane-1-sulfonamide
CID 28940496
1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide
CID 119964749
N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide
CID 28940678

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride (CID 119980708) is N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride is Cl.NCC1(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride?
The InChIKey is WITHPTFNIWRVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S.ClH/c14-11-5-10(6-12(15)7-11)8-20(18,19)17-13(9-16)3-1-2-4-13;/h5-7,17H,1-4,8-9,16H2;1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride has a molecular weight of 373.73 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119980708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).