[1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone

C19H20FNO4S — CID 110356428

IUPAC[1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCN1S(=O)(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C19H20FNO4S/c20-16-8-10-17(11-9-16)25-13-14-26(23,24)21-12-4-7-18(21)19(22)15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2
InChIKeyMZVCBEQUXSIDMJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.88
Rot. Bonds7

About [1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone

[1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone (PubChem CID 110356428) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is [1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone
PubChem CID110356428
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Name[1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCN1S(=O)(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C19H20FNO4S/c20-16-8-10-17(11-9-16)25-13-14-26(23,24)21-12-4-7-18(21)19(22)15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2
InChIKeyMZVCBEQUXSIDMJ-UHFFFAOYSA-N
XLogP2.88
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]-phenylmethanone
CID 110357734
[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methoxyphenyl)methanone
CID 110394932
1-(4-fluorophenyl)sulfonyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 18150496
1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine
CID 122560429
phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone
CID 126824892
1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine
CID 110299928
(2S)-1-(4-fluorophenyl)sulfonyl-N-[[3-(2-phenylethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 118413634
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
1-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethylsulfonyl]pyrrolidine-2-carboxylic acid
CID 122068613
N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 110618586
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
2-(4-bromophenoxy)ethyl 1-propylsulfonylpyrrolidine-2-carboxylate
CID 55476646

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone?
The IUPAC name of [1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone (CID 110356428) is [1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone.
What is the SMILES notation for [1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone?
The canonical SMILES for [1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone is O=C(c1ccccc1)C1CCCN1S(=O)(=O)CCOc1ccc(F)cc1.
What is the InChIKey of [1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone?
The InChIKey is MZVCBEQUXSIDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4S/c20-16-8-10-17(11-9-16)25-13-14-26(23,24)21-12-4-7-18(21)19(22)15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2.
What are the key properties of [1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone?
[1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone has a molecular weight of 377.44 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone is sourced from PubChem (CID 110356428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).