[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone

C18H18FNO4S — CID 110394932

IUPAC[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO4S/c1-24-15-8-4-13(5-9-15)18(21)17-3-2-12-20(17)25(22,23)16-10-6-14(19)7-11-16/h4-11,17H,2-3,12H2,1H3
InChIKeyOVBDIXMQALOCCY-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.87
Rot. Bonds5

About [1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone

[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 110394932) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone
PubChem CID110394932
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO4S/c1-24-15-8-4-13(5-9-15)18(21)17-3-2-12-20(17)25(22,23)16-10-6-14(19)7-11-16/h4-11,17H,2-3,12H2,1H3
InChIKeyOVBDIXMQALOCCY-UHFFFAOYSA-N
XLogP2.87
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110394931
[(2S)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone
CID 97236322
(2S)-1-(4-fluorophenyl)sulfonyl-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 51071510
methyl (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate;hydrofluoride
CID 144826687
1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
CID 43050515
(2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92887594
(2R)-N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468405
[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110395047
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1468399
1-(4-fluorophenyl)sulfonyl-N-[[3-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 75298437
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
methyl 4-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304571

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone (CID 110394932) is [1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is OVBDIXMQALOCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c1-24-15-8-4-13(5-9-15)18(21)17-3-2-12-20(17)25(22,23)16-10-6-14(19)7-11-16/h4-11,17H,2-3,12H2,1H3.
What are the key properties of [1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone?
[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 363.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 110394932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).