4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one

C15H15Cl2N3O3S — CID 133474434

IUPAC4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one
SMILESCC1CN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CCS1(=O)=O
InChIInChI=1S/C15H15Cl2N3O3S/c1-10-9-19(6-7-24(10,22)23)13-8-18-20(15(21)14(13)17)12-4-2-11(16)3-5-12/h2-5,8,10H,6-7,9H2,1H3
InChIKeyYIPUTZSCZZZLMO-UHFFFAOYSA-N
MW388.28 g/mol
LogP2.16
Rot. Bonds2

About 4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one

4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one (PubChem CID 133474434) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one
PubChem CID133474434
Molecular FormulaC15H15Cl2N3O3S
Molecular Weight388.28 g/mol
Exact Mass387.02
IUPAC Name4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one
SMILESCC1CN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CCS1(=O)=O
InChIInChI=1S/C15H15Cl2N3O3S/c1-10-9-19(6-7-24(10,22)23)13-8-18-20(15(21)14(13)17)12-4-2-11(16)3-5-12/h2-5,8,10H,6-7,9H2,1H3
InChIKeyYIPUTZSCZZZLMO-UHFFFAOYSA-N
XLogP2.16
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one (CID 133474434) is 4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one is CC1CN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CCS1(=O)=O.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one?
The InChIKey is YIPUTZSCZZZLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c1-10-9-19(6-7-24(10,22)23)13-8-18-20(15(21)14(13)17)12-4-2-11(16)3-5-12/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one?
4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one has a molecular weight of 388.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-one is sourced from PubChem (CID 133474434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).