4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

C20H15Cl2F3N4O4S — CID 143610419

About 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 143610419) has the molecular formula C20H15Cl2F3N4O4S and a molecular weight of 535.33 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 143610419
• Molecular Formula: C20H15Cl2F3N4O4S
• Molecular Weight: 535.33 g/mol
• Exact Mass: 534.01
• IUPAC Name: 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
• SMILES: O=C(C1=NC=C(Cl)CC1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CCOc2cccnc21
• InChI: InChI=1S/C20H15Cl2F3N4O4S/c21-11-8-15(28-34(31,32)12-3-4-14(22)13(9-12)20(23,24)25)17(27-10-11)19(30)29-6-7-33-16-2-1-5-26-18(16)29/h1-5,9-10,15,28H,6-8H2
• InChIKey: WFOWZRHZCQMMGU-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 100.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.33
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 143610419) is 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is O=C(C1=NC=C(Cl)CC1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CCOc2cccnc21.

What is the InChIKey of 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is WFOWZRHZCQMMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F3N4O4S/c21-11-8-15(28-34(31,32)12-3-4-14(22)13(9-12)20(23,24)25)17(27-10-11)19(30)29-6-7-33-16-2-1-5-26-18(16)29/h1-5,9-10,15,28H,6-8H2.

What are the key properties of 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?

4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 535.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3,4-dihydropyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 143610419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).