(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine

C18H20FNO3S — CID 51856005

IUPAC(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)cc1
InChIInChI=1S/C18H20FNO3S/c1-2-23-14-9-11-15(12-10-14)24(21,22)20-13-5-8-18(20)16-6-3-4-7-17(16)19/h3-4,6-7,9-12,18H,2,5,8,13H2,1H3/t18-/m0/s1
InChIKeyDKSJPWBUBRXCJK-SFHVURJKSA-N
MW349.43 g/mol
LogP3.75
Rot. Bonds5

About (2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine

(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine (PubChem CID 51856005) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine
PubChem CID51856005
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)cc1
InChIInChI=1S/C18H20FNO3S/c1-2-23-14-9-11-15(12-10-14)24(21,22)20-13-5-8-18(20)16-6-3-4-7-17(16)19/h3-4,6-7,9-12,18H,2,5,8,13H2,1H3/t18-/m0/s1
InChIKeyDKSJPWBUBRXCJK-SFHVURJKSA-N
XLogP3.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine
CID 51856093
1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine
CID 24511415
(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine
CID 51694778
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
methyl 1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409870
2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102539403
5-[(2S)-1-(4-ethoxyphenyl)sulfonylpiperidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 52515333
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18884790
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine?
The IUPAC name of (2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine (CID 51856005) is (2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine?
The canonical SMILES for (2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine is CCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)cc1.
What is the InChIKey of (2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine?
The InChIKey is DKSJPWBUBRXCJK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-2-23-14-9-11-15(12-10-14)24(21,22)20-13-5-8-18(20)16-6-3-4-7-17(16)19/h3-4,6-7,9-12,18H,2,5,8,13H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine?
(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine has a molecular weight of 349.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine is sourced from PubChem (CID 51856005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).