bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide

C84H71Cl8F2N13O14S4 — CID 157495157

IUPACbis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N(c2ccccc2)C(C)C)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCOc3ccc(F)cc32)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCOc3ccc(F)cc32)ccc1Cl.Cc1ccnc(N(C)C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C22H21Cl2N3O3S.2C21H16Cl2FN3O4S.C20H18Cl2N4O3S/c1-14(2)27(17-7-5-4-6-8-17)22(28)21-20(12-16(23)13-25-21)26-31(29,30)18-9-10-19(24)15(3)11-18;2*1-12-8-15(3-4-16(12)23)32(29,30)26-17-9-13(22)11-25-20(17)21(28)27-6-7-31-19-5-2-14(24)10-18(19)27;1-12-6-7-23-18(8-12)26(3)20(27)19-17(10-14(21)11-24-19)25-30(28,29)15-4-5-16(22)13(2)9-15/h4-14,26H,1-3H3;2*2-5,8-11,26H,6-7H2,1H3;4-11,25H,1-3H3
InChIKeyBXSYIZSFJLFUQM-UHFFFAOYSA-N
MW1936.46 g/mol
LogP19.38
Rot. Bonds19

About bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide

bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 157495157) has the molecular formula C84H71Cl8F2N13O14S4 and a molecular weight of 1936.46 g/mol. Its IUPAC name is bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Namebis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide
PubChem CID157495157
Molecular FormulaC84H71Cl8F2N13O14S4
Molecular Weight1936.46 g/mol
Exact Mass1931.16
IUPAC Namebis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N(c2ccccc2)C(C)C)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCOc3ccc(F)cc32)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCOc3ccc(F)cc32)ccc1Cl.Cc1ccnc(N(C)C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C22H21Cl2N3O3S.2C21H16Cl2FN3O4S.C20H18Cl2N4O3S/c1-14(2)27(17-7-5-4-6-8-17)22(28)21-20(12-16(23)13-25-21)26-31(29,30)18-9-10-19(24)15(3)11-18;2*1-12-8-15(3-4-16(12)23)32(29,30)26-17-9-13(22)11-25-20(17)21(28)27-6-7-31-19-5-2-14(24)10-18(19)27;1-12-6-7-23-18(8-12)26(3)20(27)19-17(10-14(21)11-24-19)25-30(28,29)15-4-5-16(22)13(2)9-15/h4-14,26H,1-3H3;2*2-5,8-11,26H,6-7H2,1H3;4-11,25H,1-3H3
InChIKeyBXSYIZSFJLFUQM-UHFFFAOYSA-N
XLogP19.38
TPSA348.83 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001936.46
LogP ≤ 519.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide (CID 157495157) is bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N(c2ccccc2)C(C)C)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCOc3ccc(F)cc32)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCOc3ccc(F)cc32)ccc1Cl.Cc1ccnc(N(C)C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.
What is the InChIKey of bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is BXSYIZSFJLFUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3S.2C21H16Cl2FN3O4S.C20H18Cl2N4O3S/c1-14(2)27(17-7-5-4-6-8-17)22(28)21-20(12-16(23)13-25-21)26-31(29,30)18-9-10-19(24)15(3)11-18;2*1-12-8-15(3-4-16(12)23)32(29,30)26-17-9-13(22)11-25-20(17)21(28)27-6-7-31-19-5-2-14(24)10-18(19)27;1-12-6-7-23-18(8-12)26(3)20(27)19-17(10-14(21)11-24-19)25-30(28,29)15-4-5-16(22)13(2)9-15/h4-14,26H,1-3H3;2*2-5,8-11,26H,6-7H2,1H3;4-11,25H,1-3H3.
What are the key properties of bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide?
bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 1936.46 g/mol, XLogP of 19.38, 19 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-N-[5-chloro-2-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide);5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-phenyl-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 157495157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).