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

C19H22FNO2S — CID 155937435

IUPAC(2S)-2-(4-fluorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)(C)C[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO2S/c1-14-4-10-17(11-5-14)24(22,23)21-13-19(2,3)12-18(21)15-6-8-16(20)9-7-15/h4-11,18H,12-13H2,1-3H3/t18-/m0/s1
InChIKeyDSIYLWQUBWHJFV-SFHVURJKSA-N
MW347.46 g/mol
LogP4.30
Rot. Bonds3

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

(2S)-2-(4-fluorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 155937435) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID155937435
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name(2S)-2-(4-fluorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CC(C)(C)C[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO2S/c1-14-4-10-17(11-5-14)24(22,23)21-13-19(2,3)12-18(21)15-6-8-16(20)9-7-15/h4-11,18H,12-13H2,1-3H3/t18-/m0/s1
InChIKeyDSIYLWQUBWHJFV-SFHVURJKSA-N
XLogP4.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.30
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)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 155937435) is (2S)-2-(4-fluorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2CC(C)(C)C[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is DSIYLWQUBWHJFV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-14-4-10-17(11-5-14)24(22,23)21-13-19(2,3)12-18(21)15-6-8-16(20)9-7-15/h4-11,18H,12-13H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine?
(2S)-2-(4-fluorophenyl)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 347.46 g/mol, XLogP of 4.30, 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)-4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 155937435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).