2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine

C18H19F2NO2S — CID 166330262

IUPAC2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine
SMILESCCc1ccccc1S(=O)(=O)N1CCCC1c1cc(F)ccc1F
InChIInChI=1S/C18H19F2NO2S/c1-2-13-6-3-4-8-18(13)24(22,23)21-11-5-7-17(21)15-12-14(19)9-10-16(15)20/h3-4,6,8-10,12,17H,2,5,7,11H2,1H3
InChIKeyKLWAQZHHRKDTFX-UHFFFAOYSA-N
MW351.42 g/mol
LogP4.05
Rot. Bonds4

About 2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine

2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine (PubChem CID 166330262) has the molecular formula C18H19F2NO2S and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine
PubChem CID166330262
Molecular FormulaC18H19F2NO2S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine
SMILESCCc1ccccc1S(=O)(=O)N1CCCC1c1cc(F)ccc1F
InChIInChI=1S/C18H19F2NO2S/c1-2-13-6-3-4-8-18(13)24(22,23)21-11-5-7-17(21)15-12-14(19)9-10-16(15)20/h3-4,6,8-10,12,17H,2,5,7,11H2,1H3
InChIKeyKLWAQZHHRKDTFX-UHFFFAOYSA-N
XLogP4.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855969
(2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
CID 51855932
(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 51855807
3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894196
1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 120712080
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine
CID 51856093
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole
CID 122516474
(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine
CID 51694778
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine
CID 51856005

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine (CID 166330262) is 2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine is CCc1ccccc1S(=O)(=O)N1CCCC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine?
The InChIKey is KLWAQZHHRKDTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2S/c1-2-13-6-3-4-8-18(13)24(22,23)21-11-5-7-17(21)15-12-14(19)9-10-16(15)20/h3-4,6,8-10,12,17H,2,5,7,11H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine?
2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine has a molecular weight of 351.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 166330262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).