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

C81H75Cl8N13O14S4 — CID 159226981

IUPAC4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CC(C)OC(C)C2)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCOc3ccccc32)ccc1Cl.Cc1cccc(N(C)C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.Cc1cccc(N(C)C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C21H17Cl2N3O4S.C21H19Cl2N3O3S.C20H18Cl2N4O3S.C19H21Cl2N3O4S/c1-13-10-15(6-7-16(13)23)31(28,29)25-17-11-14(22)12-24-20(17)21(27)26-8-9-30-19-5-3-2-4-18(19)26;1-13-5-4-6-16(9-13)26(3)21(27)20-19(11-15(22)12-24-20)25-30(28,29)17-7-8-18(23)14(2)10-17;1-12-9-15(7-8-16(12)22)30(28,29)25-17-10-14(21)11-23-19(17)20(27)26(3)18-6-4-5-13(2)24-18;1-11-6-15(4-5-16(11)21)29(26,27)23-17-7-14(20)8-22-18(17)19(25)24-9-12(2)28-13(3)10-24/h2-7,10-12,25H,8-9H2,1H3;4-12,25H,1-3H3;4-11,25H,1-3H3;4-8,12-13,23H,9-10H2,1-3H3
InChIKeyKSKJILROKXEDPV-UHFFFAOYSA-N
MW1866.46 g/mol
LogP17.84
Rot. Bonds18

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

4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 159226981) has the molecular formula C81H75Cl8N13O14S4 and a molecular weight of 1866.46 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID159226981
Molecular FormulaC81H75Cl8N13O14S4
Molecular Weight1866.46 g/mol
Exact Mass1861.19
IUPAC Name4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CC(C)OC(C)C2)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCOc3ccccc32)ccc1Cl.Cc1cccc(N(C)C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.Cc1cccc(N(C)C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C21H17Cl2N3O4S.C21H19Cl2N3O3S.C20H18Cl2N4O3S.C19H21Cl2N3O4S/c1-13-10-15(6-7-16(13)23)31(28,29)25-17-11-14(22)12-24-20(17)21(27)26-8-9-30-19-5-3-2-4-18(19)26;1-13-5-4-6-16(9-13)26(3)21(27)20-19(11-15(22)12-24-20)25-30(28,29)17-7-8-18(23)14(2)10-17;1-12-9-15(7-8-16(12)22)30(28,29)25-17-10-14(21)11-23-19(17)20(27)26(3)18-6-4-5-13(2)24-18;1-11-6-15(4-5-16(11)21)29(26,27)23-17-7-14(20)8-22-18(17)19(25)24-9-12(2)28-13(3)10-24/h2-7,10-12,25H,8-9H2,1H3;4-12,25H,1-3H3;4-11,25H,1-3H3;4-8,12-13,23H,9-10H2,1-3H3
InChIKeyKSKJILROKXEDPV-UHFFFAOYSA-N
XLogP17.84
TPSA348.83 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001866.46
LogP ≤ 517.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide (CID 159226981) is 4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CC(C)OC(C)C2)ccc1Cl.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCOc3ccccc32)ccc1Cl.Cc1cccc(N(C)C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.Cc1cccc(N(C)C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C)c2)n1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is KSKJILROKXEDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O4S.C21H19Cl2N3O3S.C20H18Cl2N4O3S.C19H21Cl2N3O4S/c1-13-10-15(6-7-16(13)23)31(28,29)25-17-11-14(22)12-24-20(17)21(27)26-8-9-30-19-5-3-2-4-18(19)26;1-13-5-4-6-16(9-13)26(3)21(27)20-19(11-15(22)12-24-20)25-30(28,29)17-7-8-18(23)14(2)10-17;1-12-9-15(7-8-16(12)22)30(28,29)25-17-10-14(21)11-23-19(17)20(27)26(3)18-6-4-5-13(2)24-18;1-11-6-15(4-5-16(11)21)29(26,27)23-17-7-14(20)8-22-18(17)19(25)24-9-12(2)28-13(3)10-24/h2-7,10-12,25H,8-9H2,1H3;4-12,25H,1-3H3;4-11,25H,1-3H3;4-8,12-13,23H,9-10H2,1-3H3.
What are the key properties of 4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide?
4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 1866.46 g/mol, XLogP of 17.84, 18 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(3-methylphenyl)pyridine-2-carboxamide;5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 159226981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).