7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one

C18H14ClNO3S — CID 10666203

IUPAC7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESO=C1CC(c2ccccc2)CC2=C1S(=O)(=O)c1cc(Cl)ccc1N2
InChIInChI=1S/C18H14ClNO3S/c19-13-6-7-14-17(10-13)24(22,23)18-15(20-14)8-12(9-16(18)21)11-4-2-1-3-5-11/h1-7,10,12,20H,8-9H2
InChIKeyINHPGFMWHRMSFH-UHFFFAOYSA-N
MW359.83 g/mol
LogP3.90
Rot. Bonds1

About 7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one

7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one (PubChem CID 10666203) has the molecular formula C18H14ClNO3S and a molecular weight of 359.83 g/mol. Its IUPAC name is 7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one.

Molecular Properties

Compound Name7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one
PubChem CID10666203
Molecular FormulaC18H14ClNO3S
Molecular Weight359.83 g/mol
Exact Mass359.04
IUPAC Name7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESO=C1CC(c2ccccc2)CC2=C1S(=O)(=O)c1cc(Cl)ccc1N2
InChIInChI=1S/C18H14ClNO3S/c19-13-6-7-14-17(10-13)24(22,23)18-15(20-14)8-12(9-16(18)21)11-4-2-1-3-5-11/h1-7,10,12,20H,8-9H2
InChIKeyINHPGFMWHRMSFH-UHFFFAOYSA-N
XLogP3.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_66_one(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one?
The IUPAC name of 7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one (CID 10666203) is 7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one.
What is the SMILES notation for 7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one?
The canonical SMILES for 7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one is O=C1CC(c2ccccc2)CC2=C1S(=O)(=O)c1cc(Cl)ccc1N2.
What is the InChIKey of 7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one?
The InChIKey is INHPGFMWHRMSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3S/c19-13-6-7-14-17(10-13)24(22,23)18-15(20-14)8-12(9-16(18)21)11-4-2-1-3-5-11/h1-7,10,12,20H,8-9H2.
What are the key properties of 7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one?
7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one has a molecular weight of 359.83 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one is sourced from PubChem (CID 10666203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).