(2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate

C15H17NO6S — CID 4794362

IUPAC(2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
SMILESO=C(OC1CCOC1=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C15H17NO6S/c17-14(22-13-6-9-21-15(13)18)11-4-3-5-12(10-11)23(19,20)16-7-1-2-8-16/h3-5,10,13H,1-2,6-9H2
InChIKeyWZYDGXFHTHTWSZ-UHFFFAOYSA-N
MW339.37 g/mol
LogP0.94
Rot. Bonds4

About (2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate

(2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate (PubChem CID 4794362) has the molecular formula C15H17NO6S and a molecular weight of 339.37 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
PubChem CID4794362
Molecular FormulaC15H17NO6S
Molecular Weight339.37 g/mol
Exact Mass339.08
IUPAC Name(2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
SMILESO=C(OC1CCOC1=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C15H17NO6S/c17-14(22-13-6-9-21-15(13)18)11-4-3-5-12(10-11)23(19,20)16-7-1-2-8-16/h3-5,10,13H,1-2,6-9H2
InChIKeyWZYDGXFHTHTWSZ-UHFFFAOYSA-N
XLogP0.94
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-2-oxooxolan-3-yl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 2509169
3-(2-oxooxolan-3-yl)oxycarbonylbenzenesulfonic acid
CID 90246272
[(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
CID 7891737
[(3S)-2-oxooxolan-3-yl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2120682
[(3S)-2-oxooxolan-3-yl] 3-(dimethylsulfamoyl)benzoate
CID 8763209
(2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 24687203
(5-methyl-2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 55378752
(2-oxooxolan-3-yl) 3-[(3-chlorophenyl)sulfamoyl]benzoate
CID 3903758
[(3R)-2-oxooxolan-3-yl] 3-[(3-chlorophenyl)sulfamoyl]benzoate
CID 2463256
phenyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 3927953
[3-(azepan-1-ylsulfonyl)phenyl]-cyclopropylmethanone
CID 39442346
[(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 11927980

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate?
The IUPAC name of (2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate (CID 4794362) is (2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate?
The canonical SMILES for (2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate is O=C(OC1CCOC1=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of (2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate?
The InChIKey is WZYDGXFHTHTWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6S/c17-14(22-13-6-9-21-15(13)18)11-4-3-5-12(10-11)23(19,20)16-7-1-2-8-16/h3-5,10,13H,1-2,6-9H2.
What are the key properties of (2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate?
(2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate has a molecular weight of 339.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 3-pyrrolidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 4794362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).