N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide

C13H16F4N2O2S — CID 119985898

IUPACN-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
SMILESNCC1CCCC1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O2S/c14-10-5-4-9(13(15,16)17)6-12(10)22(20,21)19-11-3-1-2-8(11)7-18/h4-6,8,11,19H,1-3,7,18H2
InChIKeyNCZBEXKOYWRIJS-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.25
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide

N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 119985898) has the molecular formula C13H16F4N2O2S and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
PubChem CID119985898
Molecular FormulaC13H16F4N2O2S
Molecular Weight340.34 g/mol
Exact Mass340.09
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
SMILESNCC1CCCC1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O2S/c14-10-5-4-9(13(15,16)17)6-12(10)22(20,21)19-11-3-1-2-8(11)7-18/h4-6,8,11,19H,1-3,7,18H2
InChIKeyNCZBEXKOYWRIJS-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119986055
N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
CID 62955173
N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119985718
N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607491
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607488
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide
CID 129368623
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide
CID 124513957
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide;hydrochloride
CID 119985739

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide (CID 119985898) is N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide is NCC1CCCC1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NCZBEXKOYWRIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O2S/c14-10-5-4-9(13(15,16)17)6-12(10)22(20,21)19-11-3-1-2-8(11)7-18/h4-6,8,11,19H,1-3,7,18H2.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide?
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 340.34 g/mol, XLogP of 2.25, 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-fluoro-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119985898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).