N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide

C12H15F3N2O3S — CID 63252615

IUPACN-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESNC1CCCC1NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)20-10-6-1-2-7-11(10)21(18,19)17-9-5-3-4-8(9)16/h1-2,6-9,17H,3-5,16H2
InChIKeyPVYJJUUMJCJTMU-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.74
Rot. Bonds4

About N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 63252615) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID63252615
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESNC1CCCC1NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)20-10-6-1-2-7-11(10)21(18,19)17-9-5-3-4-8(9)16/h1-2,6-9,17H,3-5,16H2
InChIKeyPVYJJUUMJCJTMU-UHFFFAOYSA-N
XLogP1.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 104982614
2-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120584128
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
N-[(1R,2R,3S)-3-amino-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126691146
N-[(1R,2R)-2-aminocyclopentyl]-2-nitrobenzenesulfonamide
CID 95037971
N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
CID 87792256
N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide
CID 93453364
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 98539299
N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 94183015
N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide
CID 63252482

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 63252615) is N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide is NC1CCCC1NS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is PVYJJUUMJCJTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c13-12(14,15)20-10-6-1-2-7-11(10)21(18,19)17-9-5-3-4-8(9)16/h1-2,6-9,17H,3-5,16H2.
What are the key properties of N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 324.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 63252615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).