2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide

C21H16Cl3N3O5S — CID 144913099

About 2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide

2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide (PubChem CID 144913099) has the molecular formula C21H16Cl3N3O5S and a molecular weight of 528.80 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
• PubChem CID: 144913099
• Molecular Formula: C21H16Cl3N3O5S
• Molecular Weight: 528.80 g/mol
• Exact Mass: 526.99
• IUPAC Name: 2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
• SMILES: COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(NC(=O)c3c(Cl)cccc3Cl)nc21
• InChI: InChI=1S/C21H16Cl3N3O5S/c1-31-15-6-5-12(22)11-17(15)33(29,30)27-9-10-32-16-7-8-18(25-20(16)27)26-21(28)19-13(23)3-2-4-14(19)24/h2-8,11H,9-10H2,1H3,(H,25,26,28)
• InChIKey: APPVPNFNQLXMPN-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.80
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide?

The IUPAC name of 2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide (CID 144913099) is 2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide.

What is the SMILES notation for 2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide?

The canonical SMILES for 2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide is COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(NC(=O)c3c(Cl)cccc3Cl)nc21.

What is the InChIKey of 2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide?

The InChIKey is APPVPNFNQLXMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3N3O5S/c1-31-15-6-5-12(22)11-17(15)33(29,30)27-9-10-32-16-7-8-18(25-20(16)27)26-21(28)19-13(23)3-2-4-14(19)24/h2-8,11H,9-10H2,1H3,(H,25,26,28).

What are the key properties of 2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide?

2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide has a molecular weight of 528.80 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide is sourced from PubChem (CID 144913099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).