3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine

C18H21NO4S — CID 110740592

IUPAC3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CC(c3ccccc3)OC2C)cc1
InChIInChI=1S/C18H21NO4S/c1-3-22-16-9-11-17(12-10-16)24(20,21)19-13-18(23-14(19)2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3
InChIKeyHNTBNPLJJGXLRS-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.19
Rot. Bonds5

About 3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine

3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine (PubChem CID 110740592) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine
PubChem CID110740592
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CC(c3ccccc3)OC2C)cc1
InChIInChI=1S/C18H21NO4S/c1-3-22-16-9-11-17(12-10-16)24(20,21)19-13-18(23-14(19)2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3
InChIKeyHNTBNPLJJGXLRS-UHFFFAOYSA-N
XLogP3.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine
CID 110740568
N,N,2-trimethyl-5-phenyl-1,3-oxazolidine-3-sulfonamide
CID 110740572
2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine
CID 110644106
3-(4-ethoxyphenyl)sulfonyl-2,4,4-trimethyl-1,3-oxazolidine
CID 110740925
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
(3S,4R)-1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767116
[(3R,4R)-1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120766267
(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
CID 40514291
[1-(4-ethoxyphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582144
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-methyl-5-phenyl-1,3-oxazolidine
CID 110740590
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106672603
3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3266105

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine (CID 110740592) is 3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for 3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for 3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine is CCOc1ccc(S(=O)(=O)N2CC(c3ccccc3)OC2C)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine?
The InChIKey is HNTBNPLJJGXLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-3-22-16-9-11-17(12-10-16)24(20,21)19-13-18(23-14(19)2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine?
3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine has a molecular weight of 347.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 110740592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).