1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene

C19H16O3S — CID 759355

IUPAC1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H16O3S/c1-15-7-11-18(12-8-15)23(20,21)19-13-9-17(10-14-19)22-16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyLCBXSUGPPRGXBT-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.62
Rot. Bonds4

About 1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene

1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene (PubChem CID 759355) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene
PubChem CID759355
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Name1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H16O3S/c1-15-7-11-18(12-8-15)23(20,21)19-13-9-17(10-14-19)22-16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyLCBXSUGPPRGXBT-UHFFFAOYSA-N
XLogP4.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene?
The IUPAC name of 1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene (CID 759355) is 1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene?
The canonical SMILES for 1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene is Cc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene?
The InChIKey is LCBXSUGPPRGXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c1-15-7-11-18(12-8-15)23(20,21)19-13-9-17(10-14-19)22-16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of 1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene?
1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene has a molecular weight of 324.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-phenoxyphenyl)sulfonylbenzene is sourced from PubChem (CID 759355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).