2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran

C20H22O3S — CID 132838054

IUPAC2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran
SMILESCc1ccc(S(=O)(=O)C2=C(c3ccccc3)OC(C)(C)CC2)cc1
InChIInChI=1S/C20H22O3S/c1-15-9-11-17(12-10-15)24(21,22)18-13-14-20(2,3)23-19(18)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3
InChIKeyJEHRHUXGPAJNEB-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.73
Rot. Bonds3

About 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran

2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran (PubChem CID 132838054) has the molecular formula C20H22O3S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran
PubChem CID132838054
Molecular FormulaC20H22O3S
Molecular Weight342.46 g/mol
Exact Mass342.13
IUPAC Name2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran
SMILESCc1ccc(S(=O)(=O)C2=C(c3ccccc3)OC(C)(C)CC2)cc1
InChIInChI=1S/C20H22O3S/c1-15-9-11-17(12-10-15)24(21,22)18-13-14-20(2,3)23-19(18)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3
InChIKeyJEHRHUXGPAJNEB-UHFFFAOYSA-N
XLogP4.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1,2-dimethyl-4-(4-methylphenyl)sulfonyl-5-phenylcyclohexa-1,4-diene
CID 14022580
4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene
CID 132509234
(4aS,8aS)-2-(4-fluorophenyl)-5,5,8a-trimethyl-3-(4-methylphenyl)sulfonyl-4a,6,7,8-tetrahydro-4H-chromene
CID 132543922
4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan
CID 10983557
2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene
CID 102599504
2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene
CID 102599502
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran?
The IUPAC name of 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran (CID 132838054) is 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran.
What is the SMILES notation for 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran?
The canonical SMILES for 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran is Cc1ccc(S(=O)(=O)C2=C(c3ccccc3)OC(C)(C)CC2)cc1.
What is the InChIKey of 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran?
The InChIKey is JEHRHUXGPAJNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3S/c1-15-9-11-17(12-10-15)24(21,22)18-13-14-20(2,3)23-19(18)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran?
2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran has a molecular weight of 342.46 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran is sourced from PubChem (CID 132838054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).