3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one

C11H13NO4S — CID 3648605

IUPAC3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one
SMILESCC(N1CCOC1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13NO4S/c1-9(12-7-8-16-11(12)13)17(14,15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyINWRDILEHUFOSF-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.26
Rot. Bonds3

About 3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one

3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 3648605) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one
PubChem CID3648605
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one
SMILESCC(N1CCOC1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13NO4S/c1-9(12-7-8-16-11(12)13)17(14,15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyINWRDILEHUFOSF-UHFFFAOYSA-N
XLogP1.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-{1-[(4-Methylphenyl)sulfonyl]propyl}-1,3-oxazolan-2-one
CID 3636890
3-[2-(3-Bromophenyl)sulfonylethyl]-1,3-oxazolidin-2-one
CID 72023975
3-[2-(3-Chlorophenyl)sulfonylethyl]-1,3-oxazolidin-2-one
CID 72024997
tert-butyl (4S)-4-[(R)-benzenesulfonyl(fluoro)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 138979798
tert-butyl (4S)-4-[(S)-benzenesulfonyl(fluoro)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 138979799
Ethyl 2-((phenylsulfonyl)methyl)pyrrolidine-1-carboxylate
CID 71805871
2-(Benzenesulfonyl)-1-morpholin-4-ylethanone
CID 7314899
(S)-4-[2-(4-fluoro-phenylsulfonyl)-ethyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
CID 67177216
Tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67177218
(4S)-4-[2-(4-fluorophenyl)sulfonylethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 153924812
3-(Benzenesulfonyl)-1,3-oxazolidin-2-one
CID 4438824
3-[1-(Benzenesulfonyl)propyl]-1,3-oxazolidin-2-one
CID 10801917

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one (CID 3648605) is 3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one is CC(N1CCOC1=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is INWRDILEHUFOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-9(12-7-8-16-11(12)13)17(14,15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one?
3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 255.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3648605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).