bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide

C84H70Cl8N14O16S4 — CID 159071927

About bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide

bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 159071927) has the molecular formula C84H70Cl8N14O16S4 and a molecular weight of 1943.46 g/mol. Its IUPAC name is bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide
• PubChem CID: 159071927
• Molecular Formula: C84H70Cl8N14O16S4
• Molecular Weight: 1943.46 g/mol
• Exact Mass: 1938.15
• IUPAC Name: bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide
• SMILES: Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCOc3cccnc32)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCOc3cccnc32)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2c3ccccc3OCC2C)ccc1Cl.Cc1ccc2c(c1)N(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C)c1)CCO2
• InChI: InChI=1S/2C22H19Cl2N3O4S.2C20H16Cl2N4O4S/c1-13-3-6-20-19(9-13)27(7-8-31-20)22(28)21-18(11-15(23)12-25-21)26-32(29,30)16-4-5-17(24)14(2)10-16;1-13-9-16(7-8-17(13)24)32(29,30)26-18-10-15(23)11-25-21(18)22(28)27-14(2)12-31-20-6-4-3-5-19(20)27;2*1-12-9-14(4-5-15(12)22)31(28,29)25-16-10-13(21)11-24-18(16)20(27)26-7-8-30-17-3-2-6-23-19(17)26/h3-6,9-12,26H,7-8H2,1-2H3;3-11,14,26H,12H2,1-2H3;2*2-6,9-11,25H,7-8H2,1H3
• InChIKey: JZTLILKRARKUDR-UHFFFAOYSA-N
• XLogP: 17.63
• TPSA: 380.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1943.46
LogP ≤ 5	17.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide?

The IUPAC name of bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide (CID 159071927) is bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide.

What is the SMILES notation for bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide?

The canonical SMILES for bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCOc3cccnc32)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCOc3cccnc32)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2c3ccccc3OCC2C)ccc1Cl.Cc1ccc2c(c1)N(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C)c1)CCO2.

What is the InChIKey of bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide?

The InChIKey is JZTLILKRARKUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H19Cl2N3O4S.2C20H16Cl2N4O4S/c1-13-3-6-20-19(9-13)27(7-8-31-20)22(28)21-18(11-15(23)12-25-21)26-32(29,30)16-4-5-17(24)14(2)10-16;1-13-9-16(7-8-17(13)24)32(29,30)26-18-10-15(23)11-25-21(18)22(28)27-14(2)12-31-20-6-4-3-5-19(20)27;2*1-12-9-14(4-5-15(12)22)31(28,29)25-16-10-13(21)11-24-18(16)20(27)26-7-8-30-17-3-2-6-23-19(17)26/h3-6,9-12,26H,7-8H2,1-2H3;3-11,14,26H,12H2,1-2H3;2*2-6,9-11,25H,7-8H2,1H3.

What are the key properties of bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide?

bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 1943.46 g/mol, XLogP of 17.63, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-chloro-N-[5-chloro-2-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);4-chloro-N-[5-chloro-2-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 159071927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).