N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide

C12H16BrFN2O2S — CID 103828999

IUPACN-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
SMILESNCC1(NS(=O)(=O)c2ccc(Br)c(F)c2)CCCC1
InChIInChI=1S/C12H16BrFN2O2S/c13-10-4-3-9(7-11(10)14)19(17,18)16-12(8-15)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8,15H2
InChIKeyYORVUWIJFHSKMW-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.14
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide

N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide (PubChem CID 103828999) has the molecular formula C12H16BrFN2O2S and a molecular weight of 351.24 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
PubChem CID103828999
Molecular FormulaC12H16BrFN2O2S
Molecular Weight351.24 g/mol
Exact Mass350.01
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
SMILESNCC1(NS(=O)(=O)c2ccc(Br)c(F)c2)CCCC1
InChIInChI=1S/C12H16BrFN2O2S/c13-10-4-3-9(7-11(10)14)19(17,18)16-12(8-15)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8,15H2
InChIKeyYORVUWIJFHSKMW-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844866
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide
CID 120710188
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120710187
N-[1-(aminomethyl)cyclopentyl]-2-bromo-4,6-difluorobenzenesulfonamide
CID 63888607
N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
CID 119980920
N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
CID 28941372
1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 103862710
N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide
CID 120710186
N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120710218
N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide
CID 63889394
N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide
CID 119981024
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzamide;hydrochloride
CID 119565325

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide (CID 103828999) is N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide is NCC1(NS(=O)(=O)c2ccc(Br)c(F)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide?
The InChIKey is YORVUWIJFHSKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2S/c13-10-4-3-9(7-11(10)14)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]-4-bromo-3-fluorobenzenesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide has a molecular weight of 351.24 g/mol, XLogP of 2.14, 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]-4-bromo-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103828999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).