3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine

C23H22N2O4S — CID 10477333

IUPAC3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine
SMILESCOc1ccc(N2C=CC(c3ccccc3)ON2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22N2O4S/c1-18-8-14-22(15-9-18)30(26,27)25-24(20-10-12-21(28-2)13-11-20)17-16-23(29-25)19-6-4-3-5-7-19/h3-17,23H,1-2H3
InChIKeyNHHMNMKIDIUTTH-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.62
Rot. Bonds5

About 3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine

3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine (PubChem CID 10477333) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine
PubChem CID10477333
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine
SMILESCOc1ccc(N2C=CC(c3ccccc3)ON2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22N2O4S/c1-18-8-14-22(15-9-18)30(26,27)25-24(20-10-12-21(28-2)13-11-20)17-16-23(29-25)19-6-4-3-5-7-19/h3-17,23H,1-2H3
InChIKeyNHHMNMKIDIUTTH-UHFFFAOYSA-N
XLogP4.62
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-6-(2-nitrophenyl)-6H-oxadiazine
CID 10322553
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4H-quinoline
CID 135020537
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
CID 28887671
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
methyl (3R,6R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-3,6-dihydrooxazine-4-carboxylate
CID 102309534
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
5-methoxy-2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 76517658
(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 162407870
(2S,3S)-3-ethenyl-6-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydroindole
CID 164667656
(NE)-N-[3-(4-methoxyphenyl)-4,6-diphenyl-4H-1,3-oxazin-2-ylidene]-4-methylbenzenesulfonamide
CID 135068633

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine?
The IUPAC name of 3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine (CID 10477333) is 3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine is COc1ccc(N2C=CC(c3ccccc3)ON2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine?
The InChIKey is NHHMNMKIDIUTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-18-8-14-22(15-9-18)30(26,27)25-24(20-10-12-21(28-2)13-11-20)17-16-23(29-25)19-6-4-3-5-7-19/h3-17,23H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine?
3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine has a molecular weight of 422.51 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-6-phenyl-6H-oxadiazine is sourced from PubChem (CID 10477333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).