N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide

C12H16BrClN2O2S — CID 120710186

IUPACN-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide
SMILESNCC1(NS(=O)(=O)c2ccc(Cl)cc2Br)CCCC1
InChIInChI=1S/C12H16BrClN2O2S/c13-10-7-9(14)3-4-11(10)19(17,18)16-12(8-15)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8,15H2
InChIKeyJMXZUWNMUZJNRA-UHFFFAOYSA-N
MW367.70 g/mol
LogP2.65
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide

N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide (PubChem CID 120710186) has the molecular formula C12H16BrClN2O2S and a molecular weight of 367.70 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide
PubChem CID120710186
Molecular FormulaC12H16BrClN2O2S
Molecular Weight367.70 g/mol
Exact Mass365.98
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide
SMILESNCC1(NS(=O)(=O)c2ccc(Cl)cc2Br)CCCC1
InChIInChI=1S/C12H16BrClN2O2S/c13-10-7-9(14)3-4-11(10)19(17,18)16-12(8-15)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8,15H2
InChIKeyJMXZUWNMUZJNRA-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980855
N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 119980791
N-[1-(aminomethyl)cyclopentyl]-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119980929
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828999
N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120710218
N-[1-(aminomethyl)cyclopentyl]-2-bromo-4,6-difluorobenzenesulfonamide
CID 63888607
N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide
CID 119980686
2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903054
2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62522204
2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide
CID 65030927
N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
CID 119980920
N-[1-(aminomethyl)cyclopentyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980813

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide (CID 120710186) is N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide is NCC1(NS(=O)(=O)c2ccc(Cl)cc2Br)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide?
The InChIKey is JMXZUWNMUZJNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2S/c13-10-7-9(14)3-4-11(10)19(17,18)16-12(8-15)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8,15H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide has a molecular weight of 367.70 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide is sourced from PubChem (CID 120710186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).