(5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone

C20H15NO4S — CID 53309562

IUPAC(5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3S(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C20H15NO4S/c1-25-15-12-10-14(11-13-15)20(22)21-16-6-2-4-8-18(16)26(23,24)19-9-5-3-7-17(19)21/h2-13H,1H3
InChIKeyXVEAINLZBLTSCA-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.82
Rot. Bonds2

About (5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone

(5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone (PubChem CID 53309562) has the molecular formula C20H15NO4S and a molecular weight of 365.41 g/mol. Its IUPAC name is (5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone
PubChem CID53309562
Molecular FormulaC20H15NO4S
Molecular Weight365.41 g/mol
Exact Mass365.07
IUPAC Name(5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3S(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C20H15NO4S/c1-25-15-12-10-14(11-13-15)20(22)21-16-6-2-4-8-18(16)26(23,24)19-9-5-3-7-17(19)21/h2-13H,1H3
InChIKeyXVEAINLZBLTSCA-UHFFFAOYSA-N
XLogP3.82
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone (CID 53309562) is (5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2c3ccccc3S(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of (5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone?
The InChIKey is XVEAINLZBLTSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4S/c1-25-15-12-10-14(11-13-15)20(22)21-16-6-2-4-8-18(16)26(23,24)19-9-5-3-7-17(19)21/h2-13H,1H3.
What are the key properties of (5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone?
(5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone has a molecular weight of 365.41 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 53309562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).