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

C19H12FNO3S — CID 66507232

IUPAC(5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C19H12FNO3S/c20-14-11-9-13(10-12-14)19(22)21-15-5-1-3-7-17(15)25(23,24)18-8-4-2-6-16(18)21/h1-12H
InChIKeyQZCQTYMNESVYMS-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.95
Rot. Bonds1

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

(5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone (PubChem CID 66507232) has the molecular formula C19H12FNO3S and a molecular weight of 353.37 g/mol. Its IUPAC name is (5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone
PubChem CID66507232
Molecular FormulaC19H12FNO3S
Molecular Weight353.37 g/mol
Exact Mass353.05
IUPAC Name(5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C19H12FNO3S/c20-14-11-9-13(10-12-14)19(22)21-15-5-1-3-7-17(15)25(23,24)18-8-4-2-6-16(18)21/h1-12H
InChIKeyQZCQTYMNESVYMS-UHFFFAOYSA-N
XLogP3.95
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carbonyl)phenyl]-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)methanone
CID 70257091
2-(4-fluorobenzoyl)isoindole-1,3-dione
CID 3643646
cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone
CID 66507618
[4-(4-fluorophenyl)-1,1-dioxo-1λ6,4-benzothiazin-2-yl]-(4-methylphenyl)methanone
CID 46296991
1-(4-fluorobenzoyl)pyrrolidine-2,5-dione
CID 790945
3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2307108
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
ethyl 2-(5,5-dioxophenothiazin-10-yl)-2-oxoacetate
CID 66507132
2-(10-methyl-5,5-dioxophenothiazin-2-yl)-2-oxoacetic acid
CID 151297864
carbazol-9-yl-(4-fluorophenyl)methanone
CID 8852543
1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
CID 62230828
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715

Frequently Asked Questions

What is the IUPAC name of (5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone (CID 66507232) is (5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1c2ccccc2S(=O)(=O)c2ccccc21.
What is the InChIKey of (5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone?
The InChIKey is QZCQTYMNESVYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO3S/c20-14-11-9-13(10-12-14)19(22)21-15-5-1-3-7-17(15)25(23,24)18-8-4-2-6-16(18)21/h1-12H.
What are the key properties of (5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone?
(5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone has a molecular weight of 353.37 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dioxophenothiazin-10-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 66507232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).