1-(benzenesulfonyl)phenoxathiine 10,10-dioxide

C18H12O5S2 — CID 10595448

IUPAC1-(benzenesulfonyl)phenoxathiine 10,10-dioxide
SMILESO=S(=O)(c1ccccc1)c1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C18H12O5S2/c19-24(20,13-7-2-1-3-8-13)17-12-6-10-15-18(17)25(21,22)16-11-5-4-9-14(16)23-15/h1-12H
InChIKeyAYVTUPJFEOCTHS-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.46
Rot. Bonds2

About 1-(benzenesulfonyl)phenoxathiine 10,10-dioxide

1-(benzenesulfonyl)phenoxathiine 10,10-dioxide (PubChem CID 10595448) has the molecular formula C18H12O5S2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)phenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name1-(benzenesulfonyl)phenoxathiine 10,10-dioxide
PubChem CID10595448
Molecular FormulaC18H12O5S2
Molecular Weight372.42 g/mol
Exact Mass372.01
IUPAC Name1-(benzenesulfonyl)phenoxathiine 10,10-dioxide
SMILESO=S(=O)(c1ccccc1)c1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C18H12O5S2/c19-24(20,13-7-2-1-3-8-13)17-12-6-10-15-18(17)25(21,22)16-11-5-4-9-14(16)23-15/h1-12H
InChIKeyAYVTUPJFEOCTHS-UHFFFAOYSA-N
XLogP3.46
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)phenoxathiine 10,10-dioxide?
The IUPAC name of 1-(benzenesulfonyl)phenoxathiine 10,10-dioxide (CID 10595448) is 1-(benzenesulfonyl)phenoxathiine 10,10-dioxide.
What is the SMILES notation for 1-(benzenesulfonyl)phenoxathiine 10,10-dioxide?
The canonical SMILES for 1-(benzenesulfonyl)phenoxathiine 10,10-dioxide is O=S(=O)(c1ccccc1)c1cccc2c1S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 1-(benzenesulfonyl)phenoxathiine 10,10-dioxide?
The InChIKey is AYVTUPJFEOCTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O5S2/c19-24(20,13-7-2-1-3-8-13)17-12-6-10-15-18(17)25(21,22)16-11-5-4-9-14(16)23-15/h1-12H.
What are the key properties of 1-(benzenesulfonyl)phenoxathiine 10,10-dioxide?
1-(benzenesulfonyl)phenoxathiine 10,10-dioxide has a molecular weight of 372.42 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)phenoxathiine 10,10-dioxide is sourced from PubChem (CID 10595448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).