1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine

C13H17F2NO2S — CID 104753985

IUPAC1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine
SMILESNC(CS(=O)(=O)c1ccc(F)cc1F)C1CCCC1
InChIInChI=1S/C13H17F2NO2S/c14-10-5-6-13(11(15)7-10)19(17,18)8-12(16)9-3-1-2-4-9/h5-7,9,12H,1-4,8,16H2
InChIKeyULASIKNNEQUCMY-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.26
Rot. Bonds4

About 1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine

1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine (PubChem CID 104753985) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine
PubChem CID104753985
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC Name1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine
SMILESNC(CS(=O)(=O)c1ccc(F)cc1F)C1CCCC1
InChIInChI=1S/C13H17F2NO2S/c14-10-5-6-13(11(15)7-10)19(17,18)8-12(16)9-3-1-2-4-9/h5-7,9,12H,1-4,8,16H2
InChIKeyULASIKNNEQUCMY-UHFFFAOYSA-N
XLogP2.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine
CID 64646053
1-(2,4-difluorophenyl)sulfonylbutan-2-amine
CID 64645054
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
CID 64698220
1-cyclopentyl-2-(2-nitrophenyl)sulfonylethanamine
CID 104754042
2-cyclopentyl-2-(2,4-difluorophenyl)sulfonylacetonitrile
CID 82933692
2-cycloheptyl-2-(2,4-difluorophenyl)sulfonylacetonitrile
CID 82933653
1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine
CID 104755477
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine
CID 104754679
1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine
CID 104754082
N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-2,4-difluorobenzenesulfonamide
CID 67182855

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine?
The IUPAC name of 1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine (CID 104753985) is 1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine?
The canonical SMILES for 1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine is NC(CS(=O)(=O)c1ccc(F)cc1F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine?
The InChIKey is ULASIKNNEQUCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c14-10-5-6-13(11(15)7-10)19(17,18)8-12(16)9-3-1-2-4-9/h5-7,9,12H,1-4,8,16H2.
What are the key properties of 1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine?
1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine has a molecular weight of 289.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine is sourced from PubChem (CID 104753985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).