3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one

C14H10Cl2N2O4S — CID 138521635

IUPAC3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one
SMILESCS(=O)(=O)c1cc2c(cn1)C(=O)N(c1c(Cl)cccc1Cl)CO2
InChIInChI=1S/C14H10Cl2N2O4S/c1-23(20,21)12-5-11-8(6-17-12)14(19)18(7-22-11)13-9(15)3-2-4-10(13)16/h2-6H,7H2,1H3
InChIKeyVNGSIJZHAGRZHF-UHFFFAOYSA-N
MW373.22 g/mol
LogP2.79
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one

3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one (PubChem CID 138521635) has the molecular formula C14H10Cl2N2O4S and a molecular weight of 373.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one
PubChem CID138521635
Molecular FormulaC14H10Cl2N2O4S
Molecular Weight373.22 g/mol
Exact Mass371.97
IUPAC Name3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one
SMILESCS(=O)(=O)c1cc2c(cn1)C(=O)N(c1c(Cl)cccc1Cl)CO2
InChIInChI=1S/C14H10Cl2N2O4S/c1-23(20,21)12-5-11-8(6-17-12)14(19)18(7-22-11)13-9(15)3-2-4-10(13)16/h2-6H,7H2,1H3
InChIKeyVNGSIJZHAGRZHF-UHFFFAOYSA-N
XLogP2.79
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one (CID 138521635) is 3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one is CS(=O)(=O)c1cc2c(cn1)C(=O)N(c1c(Cl)cccc1Cl)CO2.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one?
The InChIKey is VNGSIJZHAGRZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4S/c1-23(20,21)12-5-11-8(6-17-12)14(19)18(7-22-11)13-9(15)3-2-4-10(13)16/h2-6H,7H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one?
3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one has a molecular weight of 373.22 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-methylsulfonyl-2H-pyrido[3,4-e][1,3]oxazin-4-one is sourced from PubChem (CID 138521635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).