(2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran

C19H20O3S — CID 134941880

IUPAC(2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran
SMILESCc1ccc(S(=O)(=O)C2=CC[C@H](C)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H20O3S/c1-14-8-11-17(12-9-14)23(20,21)18-13-10-15(2)22-19(18)16-6-4-3-5-7-16/h3-9,11-13,15,19H,10H2,1-2H3/t15-,19+/m0/s1
InChIKeyXXPUPXIFKGRCOS-HNAYVOBHSA-N
MW328.43 g/mol
LogP4.20
Rot. Bonds3

About (2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran

(2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran (PubChem CID 134941880) has the molecular formula C19H20O3S and a molecular weight of 328.43 g/mol. Its IUPAC name is (2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran
PubChem CID134941880
Molecular FormulaC19H20O3S
Molecular Weight328.43 g/mol
Exact Mass328.11
IUPAC Name(2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran
SMILESCc1ccc(S(=O)(=O)C2=CC[C@H](C)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H20O3S/c1-14-8-11-17(12-9-14)23(20,21)18-13-10-15(2)22-19(18)16-6-4-3-5-7-16/h3-9,11-13,15,19H,10H2,1-2H3/t15-,19+/m0/s1
InChIKeyXXPUPXIFKGRCOS-HNAYVOBHSA-N
XLogP4.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran 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

(2S,3S)-2-(4-methylphenyl)sulfonyl-3-phenyloxirane
CID 102316632
6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran
CID 102424469
(4aR,6R,8aR)-6-methoxy-8-(4-methylphenyl)sulfonyl-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
CID 102478397
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
2-[4-(benzenesulfonyl)phenyl]-3-methyloxirane
CID 22677241
5-(benzenesulfonyl)-3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 102187809

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran (CID 134941880) is (2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran is Cc1ccc(S(=O)(=O)C2=CC[C@H](C)O[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran?
The InChIKey is XXPUPXIFKGRCOS-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H20O3S/c1-14-8-11-17(12-9-14)23(20,21)18-13-10-15(2)22-19(18)16-6-4-3-5-7-16/h3-9,11-13,15,19H,10H2,1-2H3/t15-,19+/m0/s1.
What are the key properties of (2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran?
(2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran has a molecular weight of 328.43 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-methyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134941880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).