3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine

C11H15NO4S — CID 110740101

IUPAC3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCOC2)cc1
InChIInChI=1S/C11H15NO4S/c1-2-16-10-3-5-11(6-4-10)17(13,14)12-7-8-15-9-12/h3-6H,2,7-9H2,1H3
InChIKeyKTIXTGPHROAWEM-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.06
Rot. Bonds4

About 3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine

3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine (PubChem CID 110740101) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine
PubChem CID110740101
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCOC2)cc1
InChIInChI=1S/C11H15NO4S/c1-2-16-10-3-5-11(6-4-10)17(13,14)12-7-8-15-9-12/h3-6H,2,7-9H2,1H3
InChIKeyKTIXTGPHROAWEM-UHFFFAOYSA-N
XLogP1.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
3-(4-cyclopentyloxyphenyl)sulfonyl-1,3-oxazolidine
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CID 110870648
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106672603
3-(4-ethoxyphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane
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1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 113074890
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine
CID 4738891
4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
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CID 170120954

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine?
The IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine (CID 110740101) is 3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine.
What is the SMILES notation for 3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine?
The canonical SMILES for 3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine is CCOc1ccc(S(=O)(=O)N2CCOC2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine?
The InChIKey is KTIXTGPHROAWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-2-16-10-3-5-11(6-4-10)17(13,14)12-7-8-15-9-12/h3-6H,2,7-9H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine?
3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine has a molecular weight of 257.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine is sourced from PubChem (CID 110740101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).