7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one

C18H12Cl3NOS — CID 10596924

IUPAC7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESO=C1CC(c2ccc(Cl)cc2Cl)CC2=C1Sc1cc(Cl)ccc1N2
InChIInChI=1S/C18H12Cl3NOS/c19-10-1-3-12(13(21)7-10)9-5-15-18(16(23)6-9)24-17-8-11(20)2-4-14(17)22-15/h1-4,7-9,22H,5-6H2
InChIKeyVNWJVHAQKKUPLT-UHFFFAOYSA-N
MW396.73 g/mol
LogP6.52
Rot. Bonds1

About 7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one

7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one (PubChem CID 10596924) has the molecular formula C18H12Cl3NOS and a molecular weight of 396.73 g/mol. Its IUPAC name is 7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one.

Molecular Properties

Compound Name7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one
PubChem CID10596924
Molecular FormulaC18H12Cl3NOS
Molecular Weight396.73 g/mol
Exact Mass394.97
IUPAC Name7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one
SMILESO=C1CC(c2ccc(Cl)cc2Cl)CC2=C1Sc1cc(Cl)ccc1N2
InChIInChI=1S/C18H12Cl3NOS/c19-10-1-3-12(13(21)7-10)9-5-15-18(16(23)6-9)24-17-8-11(20)2-4-14(17)22-15/h1-4,7-9,22H,5-6H2
InChIKeyVNWJVHAQKKUPLT-UHFFFAOYSA-N
XLogP6.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.73
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Chlorophenyl)-7-fluoro-5,5-dioxo-1,2,3,10-tetrahydrophenothiazin-4-one
CID 10619622
7-Chloro-2-(4-chlorophenyl)-5,5-dioxo-1,2,3,10-tetrahydrophenothiazin-4-one
CID 10620622
7-Chloro-5,5-dioxo-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one
CID 10666203
2-(4-Chlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one
CID 10759976
7-Chloro-2-phenyl-1,2,3,10-tetrahydrophenothiazin-4-one
CID 10782475
7-Chloro-2-(4-chlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one
CID 10832464
2-(2,4-Dichlorophenyl)-7-fluoro-1,2,3,10-tetrahydrophenothiazin-4-one
CID 11794141
7-Chloro-2-(2,4-dichlorophenyl)-5,5-dioxo-1,2,3,10-tetrahydrophenothiazin-4-one
CID 10502683
1-[7-Chloro-2-(2,4-dichlorophenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepin-3-yl]ethanone
CID 42643456
1-[2-(2,4-Dichlorophenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepin-3-yl]ethanone
CID 42647052
6-(2,4-dichlorophenyl)-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
CID 3884986
2-Phenyl-1,2,3,10-tetrahydrophenothiazin-4-one
CID 15621529

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
The IUPAC name of 7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one (CID 10596924) is 7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one.
What is the SMILES notation for 7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
The canonical SMILES for 7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one is O=C1CC(c2ccc(Cl)cc2Cl)CC2=C1Sc1cc(Cl)ccc1N2.
What is the InChIKey of 7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
The InChIKey is VNWJVHAQKKUPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3NOS/c19-10-1-3-12(13(21)7-10)9-5-15-18(16(23)6-9)24-17-8-11(20)2-4-14(17)22-15/h1-4,7-9,22H,5-6H2.
What are the key properties of 7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one?
7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one has a molecular weight of 396.73 g/mol, XLogP of 6.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2,4-dichlorophenyl)-1,2,3,10-tetrahydrophenothiazin-4-one is sourced from PubChem (CID 10596924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).