(2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine

C17H18FNO2S — CID 32681978

IUPAC(2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-13-4-10-16(11-5-13)22(20,21)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h4-11,17H,2-3,12H2,1H3/t17-/m0/s1
InChIKeyDAEHFYNGSSBGSS-KRWDZBQOSA-N
MW319.40 g/mol
LogP3.66
Rot. Bonds3

About (2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine

(2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 32681978) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID32681978
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name(2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-13-4-10-16(11-5-13)22(20,21)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h4-11,17H,2-3,12H2,1H3/t17-/m0/s1
InChIKeyDAEHFYNGSSBGSS-KRWDZBQOSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine (CID 32681978) is (2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is DAEHFYNGSSBGSS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-13-4-10-16(11-5-13)22(20,21)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h4-11,17H,2-3,12H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
(2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 319.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 32681978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).