N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride

C12H17BrCl2N2O2S — CID 120711063

IUPACN-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1cccc(Cl)c1Br
InChIInChI=1S/C12H16BrClN2O2S.ClH/c13-12-9(14)4-2-6-11(12)19(17,18)16-10-5-1-3-8(10)7-15;/h2,4,6,8,10,16H,1,3,5,7,15H2;1H
InChIKeyOKRWVIJQSOKCRC-UHFFFAOYSA-N
MW404.16 g/mol
LogP2.93
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride (PubChem CID 120711063) has the molecular formula C12H17BrCl2N2O2S and a molecular weight of 404.16 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride
PubChem CID120711063
Molecular FormulaC12H17BrCl2N2O2S
Molecular Weight404.16 g/mol
Exact Mass401.96
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1cccc(Cl)c1Br
InChIInChI=1S/C12H16BrClN2O2S.ClH/c13-12-9(14)4-2-6-11(12)19(17,18)16-10-5-1-3-8(10)7-15;/h2,4,6,8,10,16H,1,3,5,7,15H2;1H
InChIKeyOKRWVIJQSOKCRC-UHFFFAOYSA-N
XLogP2.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.16
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120711092
N-[2-(aminomethyl)cyclopentyl]-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride
CID 119986179
N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120711122
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119986380
2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide
CID 68871797
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120711198
N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119985718
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711069
3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836072

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride (CID 120711063) is N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride is Cl.NCC1CCCC1NS(=O)(=O)c1cccc(Cl)c1Br.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride?
The InChIKey is OKRWVIJQSOKCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S.ClH/c13-12-9(14)4-2-6-11(12)19(17,18)16-10-5-1-3-8(10)7-15;/h2,4,6,8,10,16H,1,3,5,7,15H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride has a molecular weight of 404.16 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120711063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).