N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride

C12H17BrClFN2O2S — CID 120710218

IUPACN-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)c2cccc(Br)c2F)CCCC1
InChIInChI=1S/C12H16BrFN2O2S.ClH/c13-9-4-3-5-10(11(9)14)19(17,18)16-12(8-15)6-1-2-7-12;/h3-5,16H,1-2,6-8,15H2;1H
InChIKeyAZTDOJYFLYYIQC-UHFFFAOYSA-N
MW387.70 g/mol
LogP2.56
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride (PubChem CID 120710218) has the molecular formula C12H17BrClFN2O2S and a molecular weight of 387.70 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride
PubChem CID120710218
Molecular FormulaC12H17BrClFN2O2S
Molecular Weight387.70 g/mol
Exact Mass385.99
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)c2cccc(Br)c2F)CCCC1
InChIInChI=1S/C12H16BrFN2O2S.ClH/c13-9-4-3-5-10(11(9)14)19(17,18)16-12(8-15)6-1-2-7-12;/h3-5,16H,1-2,6-8,15H2;1H
InChIKeyAZTDOJYFLYYIQC-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.70
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide
CID 119980686
N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide
CID 28971038
N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
CID 119980920
N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide
CID 120710186
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828999
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119980798
N-[1-(aminomethyl)cyclopentyl]-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119980929
2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide
CID 65030927
N-[1-(aminomethyl)cyclopentyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980813
N-[1-(aminomethyl)cyclopentyl]quinoline-8-sulfonamide
CID 75431004
N-[1-(aminomethyl)cyclopentyl]-2-bromo-4,6-difluorobenzenesulfonamide
CID 63888607
N-(3-aminopropyl)-3-bromo-2-fluorobenzenesulfonamide
CID 120706743

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride (CID 120710218) is N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride is Cl.NCC1(NS(=O)(=O)c2cccc(Br)c2F)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is AZTDOJYFLYYIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2S.ClH/c13-9-4-3-5-10(11(9)14)19(17,18)16-12(8-15)6-1-2-7-12;/h3-5,16H,1-2,6-8,15H2;1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 387.70 g/mol, XLogP of 2.56, 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]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120710218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).