6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran

C19H20O4S — CID 102424469

IUPAC6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran
SMILESCOc1ccc(C2OCCC=C2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20O4S/c1-14-5-11-17(12-6-14)24(20,21)18-4-3-13-23-19(18)15-7-9-16(22-2)10-8-15/h4-12,19H,3,13H2,1-2H3
InChIKeyNBBSKZKVGNFTIV-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.82
Rot. Bonds4

About 6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran

6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran (PubChem CID 102424469) has the molecular formula C19H20O4S and a molecular weight of 344.43 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran
PubChem CID102424469
Molecular FormulaC19H20O4S
Molecular Weight344.43 g/mol
Exact Mass344.11
IUPAC Name6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran
SMILESCOc1ccc(C2OCCC=C2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20O4S/c1-14-5-11-17(12-6-14)24(20,21)18-4-3-13-23-19(18)15-7-9-16(22-2)10-8-15/h4-12,19H,3,13H2,1-2H3
InChIKeyNBBSKZKVGNFTIV-UHFFFAOYSA-N
XLogP3.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide
CID 122230316
[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate
CID 11234300
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369123
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
1-[4-[4-(4-methoxyphenyl)sulfonylcyclohexa-2,4-dien-1-yl]oxyphenyl]sulfonyl-4-methylbenzene
CID 126710346
(2S,3R)-3-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile
CID 102452937
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
1-(113C)methoxy-4-methylbenzene
CID 166176950

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran?
The IUPAC name of 6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran (CID 102424469) is 6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran is COc1ccc(C2OCCC=C2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran?
The InChIKey is NBBSKZKVGNFTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4S/c1-14-5-11-17(12-6-14)24(20,21)18-4-3-13-23-19(18)15-7-9-16(22-2)10-8-15/h4-12,19H,3,13H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran?
6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran has a molecular weight of 344.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 102424469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).