3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol

C13H9Cl2N3O3S — CID 59623735

IUPAC3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol
SMILESCN1c2nccnc2C(O)=C(c2ccc(Cl)cc2Cl)S1(=O)=O
InChIInChI=1S/C13H9Cl2N3O3S/c1-18-13-10(16-4-5-17-13)11(19)12(22(18,20)21)8-3-2-7(14)6-9(8)15/h2-6,19H,1H3
InChIKeyHBSAEGNLJNOPFJ-UHFFFAOYSA-N
MW358.21 g/mol
LogP2.95
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol

3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol (PubChem CID 59623735) has the molecular formula C13H9Cl2N3O3S and a molecular weight of 358.21 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol
PubChem CID59623735
Molecular FormulaC13H9Cl2N3O3S
Molecular Weight358.21 g/mol
Exact Mass356.97
IUPAC Name3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol
SMILESCN1c2nccnc2C(O)=C(c2ccc(Cl)cc2Cl)S1(=O)=O
InChIInChI=1S/C13H9Cl2N3O3S/c1-18-13-10(16-4-5-17-13)11(19)12(22(18,20)21)8-3-2-7(14)6-9(8)15/h2-6,19H,1H3
InChIKeyHBSAEGNLJNOPFJ-UHFFFAOYSA-N
XLogP2.95
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol (CID 59623735) is 3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol is CN1c2nccnc2C(O)=C(c2ccc(Cl)cc2Cl)S1(=O)=O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol?
The InChIKey is HBSAEGNLJNOPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3S/c1-18-13-10(16-4-5-17-13)11(19)12(22(18,20)21)8-3-2-7(14)6-9(8)15/h2-6,19H,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol?
3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol has a molecular weight of 358.21 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol is sourced from PubChem (CID 59623735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).