[4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone

C20H22FNO3S — CID 155664871

IUPAC[4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CC(C(=O)c3ccc(F)cc3)C(C)(C)C2)cc1
InChIInChI=1S/C20H22FNO3S/c1-14-4-10-17(11-5-14)26(24,25)22-12-18(20(2,3)13-22)19(23)15-6-8-16(21)9-7-15/h4-11,18H,12-13H2,1-3H3
InChIKeyQTHHFZCXNCJWQF-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.66
Rot. Bonds4

About [4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone

[4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 155664871) has the molecular formula C20H22FNO3S and a molecular weight of 375.47 g/mol. Its IUPAC name is [4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone
PubChem CID155664871
Molecular FormulaC20H22FNO3S
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC Name[4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CC(C(=O)c3ccc(F)cc3)C(C)(C)C2)cc1
InChIInChI=1S/C20H22FNO3S/c1-14-4-10-17(11-5-14)26(24,25)22-12-18(20(2,3)13-22)19(23)15-6-8-16(21)9-7-15/h4-11,18H,12-13H2,1-3H3
InChIKeyQTHHFZCXNCJWQF-UHFFFAOYSA-N
XLogP3.66
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone (CID 155664871) is [4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone is Cc1ccc(S(=O)(=O)N2CC(C(=O)c3ccc(F)cc3)C(C)(C)C2)cc1.
What is the InChIKey of [4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is QTHHFZCXNCJWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c1-14-4-10-17(11-5-14)26(24,25)22-12-18(20(2,3)13-22)19(23)15-6-8-16(21)9-7-15/h4-11,18H,12-13H2,1-3H3.
What are the key properties of [4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone?
[4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 375.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 155664871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).