2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine

C13H17F2NO2S — CID 64644473

IUPAC2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2S/c1-2-16-12-4-3-5-13(12)19(17,18)9-6-7-10(14)11(15)8-9/h6-8,12-13,16H,2-5H2,1H3
InChIKeyBTPKOHRKCSWGMF-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.27
Rot. Bonds4

About 2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine

2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine (PubChem CID 64644473) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
PubChem CID64644473
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC Name2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2S/c1-2-16-12-4-3-5-13(12)19(17,18)9-6-7-10(14)11(15)8-9/h6-8,12-13,16H,2-5H2,1H3
InChIKeyBTPKOHRKCSWGMF-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine (CID 64644473) is 2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine is CCNC1CCCC1S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine?
The InChIKey is BTPKOHRKCSWGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c1-2-16-12-4-3-5-13(12)19(17,18)9-6-7-10(14)11(15)8-9/h6-8,12-13,16H,2-5H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine?
2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 64644473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).