N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide

C12H16F2N2O2S — CID 119980686

IUPACN-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide
SMILESNCC1(NS(=O)(=O)c2cccc(F)c2F)CCCC1
InChIInChI=1S/C12H16F2N2O2S/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
InChIKeySZFSDAZAJNWVPC-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.51
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide

N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide (PubChem CID 119980686) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide
PubChem CID119980686
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide
SMILESNCC1(NS(=O)(=O)c2cccc(F)c2F)CCCC1
InChIInChI=1S/C12H16F2N2O2S/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
InChIKeySZFSDAZAJNWVPC-UHFFFAOYSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120710218
N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide
CID 28971038
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
N-[1-(aminomethyl)cyclopentyl]quinoline-8-sulfonamide
CID 75431004
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 62521074
N-[1-(aminomethyl)cyclobutyl]-3-fluoropyridine-2-sulfonamide
CID 103308604
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119980798
N-[1-(aminomethyl)cyclopentyl]-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119980929
N-[1-(aminomethyl)cyclopentyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980813
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903044
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828999
N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide
CID 120710186

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide (CID 119980686) is N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide is NCC1(NS(=O)(=O)c2cccc(F)c2F)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide?
The InChIKey is SZFSDAZAJNWVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/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.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 1.51, 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]-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 119980686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).