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

C17H19NO5S — CID 110740481

IUPAC3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine
SMILESCOc1ccc(S(=O)(=O)N2COC(c3ccccc3)C2)c(OC)c1
InChIInChI=1S/C17H19NO5S/c1-21-14-8-9-17(15(10-14)22-2)24(19,20)18-11-16(23-12-18)13-6-4-3-5-7-13/h3-10,16H,11-12H2,1-2H3
InChIKeyVFDFXJBKOJTDKC-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.42
Rot. Bonds5

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

3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine (PubChem CID 110740481) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine
PubChem CID110740481
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine
SMILESCOc1ccc(S(=O)(=O)N2COC(c3ccccc3)C2)c(OC)c1
InChIInChI=1S/C17H19NO5S/c1-21-14-8-9-17(15(10-14)22-2)24(19,20)18-11-16(23-12-18)13-6-4-3-5-7-13/h3-10,16H,11-12H2,1-2H3
InChIKeyVFDFXJBKOJTDKC-UHFFFAOYSA-N
XLogP2.42
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369024
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine
CID 110327378
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326792
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 110708580
(4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one
CID 57401834
3-(1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)sulfonylpyrrolidine
CID 110603906
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
CID 110364059
2-(4-methoxyphenyl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110327287
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine (CID 110740481) is 3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine is COc1ccc(S(=O)(=O)N2COC(c3ccccc3)C2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine?
The InChIKey is VFDFXJBKOJTDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-21-14-8-9-17(15(10-14)22-2)24(19,20)18-11-16(23-12-18)13-6-4-3-5-7-13/h3-10,16H,11-12H2,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine?
3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine has a molecular weight of 349.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)sulfonyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 110740481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).