N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide

C13H17F3N2O2S — CID 28971038

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESNCC1(NS(=O)(=O)c2ccccc2C(F)(F)F)CCCC1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)10-5-1-2-6-11(10)21(19,20)18-12(9-17)7-3-4-8-12/h1-2,5-6,18H,3-4,7-9,17H2
InChIKeyYUWVJTLCSAWPPC-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.26
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide

N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 28971038) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID28971038
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESNCC1(NS(=O)(=O)c2ccccc2C(F)(F)F)CCCC1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)10-5-1-2-6-11(10)21(19,20)18-12(9-17)7-3-4-8-12/h1-2,5-6,18H,3-4,7-9,17H2
InChIKeyYUWVJTLCSAWPPC-UHFFFAOYSA-N
XLogP2.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980813
N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980855
N-[1-(aminomethyl)cyclopentyl]-2,3-difluorobenzenesulfonamide
CID 119980686
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]-3-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120710218
N-[1-(aminomethyl)cyclopentyl]quinoline-8-sulfonamide
CID 75431004
N-[1-(aminomethyl)cyclopropyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 171678637
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119980798
N-[1-(aminomethyl)cyclopentyl]-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119980929
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119985718

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide (CID 28971038) is N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide is NCC1(NS(=O)(=O)c2ccccc2C(F)(F)F)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YUWVJTLCSAWPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c14-13(15,16)10-5-1-2-6-11(10)21(19,20)18-12(9-17)7-3-4-8-12/h1-2,5-6,18H,3-4,7-9,17H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 2.26, 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-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 28971038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).