3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide

C86H83Cl6N13O16S4 — CID 157337502

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N(C)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(Cl)c2)cn1.CCOc1ccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(OC(C)C)cc2)cn1.CN(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1Cl
InChIInChI=1S/C23H23Cl2N3O3S.C22H22ClN3O5S.C22H22ClN3O4S.C19H16Cl2N4O4S/c1-23(2,3)15-9-11-17(12-10-15)32(30,31)27-19-13-16(24)14-26-21(19)22(29)28(4)20-8-6-5-7-18(20)25;1-4-30-20-10-5-15(12-24-20)22(27)21-19(11-16(23)13-25-21)26-32(28,29)18-8-6-17(7-9-18)31-14(2)3;1-15(2)30-18-9-11-19(12-10-18)31(28,29)25-20-13-16(23)14-24-21(20)22(27)26(3)17-7-5-4-6-8-17;1-11(2)29-17-4-3-14(10-23-17)30(27,28)25-15-8-13(20)9-24-18(15)19(26)12-5-6-22-16(21)7-12/h5-14,27H,1-4H3;5-14,26H,4H2,1-3H3;4-15,25H,1-3H3;3-11,25H,1-2H3
InChIKeyBFZVANQTCXJTEU-UHFFFAOYSA-N
MW1895.67 g/mol
LogP18.71
Rot. Bonds28

About 3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide

3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide (PubChem CID 157337502) has the molecular formula C86H83Cl6N13O16S4 and a molecular weight of 1895.67 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide
PubChem CID157337502
Molecular FormulaC86H83Cl6N13O16S4
Molecular Weight1895.67 g/mol
Exact Mass1891.31
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N(C)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(Cl)c2)cn1.CCOc1ccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(OC(C)C)cc2)cn1.CN(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1Cl
InChIInChI=1S/C23H23Cl2N3O3S.C22H22ClN3O5S.C22H22ClN3O4S.C19H16Cl2N4O4S/c1-23(2,3)15-9-11-17(12-10-15)32(30,31)27-19-13-16(24)14-26-21(19)22(29)28(4)20-8-6-5-7-18(20)25;1-4-30-20-10-5-15(12-24-20)22(27)21-19(11-16(23)13-25-21)26-32(28,29)18-8-6-17(7-9-18)31-14(2)3;1-15(2)30-18-9-11-19(12-10-18)31(28,29)25-20-13-16(23)14-24-21(20)22(27)26(3)17-7-5-4-6-8-17;1-11(2)29-17-4-3-14(10-23-17)30(27,28)25-15-8-13(20)9-24-18(15)19(26)12-5-6-22-16(21)7-12/h5-14,27H,1-4H3;5-14,26H,4H2,1-3H3;4-15,25H,1-3H3;3-11,25H,1-2H3
InChIKeyBFZVANQTCXJTEU-UHFFFAOYSA-N
XLogP18.71
TPSA386.59 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds28
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001895.67
LogP ≤ 518.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide (CID 157337502) is 3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide is CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N(C)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(Cl)c2)cn1.CCOc1ccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(OC(C)C)cc2)cn1.CN(C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1Cl.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide?
The InChIKey is BFZVANQTCXJTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O3S.C22H22ClN3O5S.C22H22ClN3O4S.C19H16Cl2N4O4S/c1-23(2,3)15-9-11-17(12-10-15)32(30,31)27-19-13-16(24)14-26-21(19)22(29)28(4)20-8-6-5-7-18(20)25;1-4-30-20-10-5-15(12-24-20)22(27)21-19(11-16(23)13-25-21)26-32(28,29)18-8-6-17(7-9-18)31-14(2)3;1-15(2)30-18-9-11-19(12-10-18)31(28,29)25-20-13-16(23)14-24-21(20)22(27)26(3)17-7-5-4-6-8-17;1-11(2)29-17-4-3-14(10-23-17)30(27,28)25-15-8-13(20)9-24-18(15)19(26)12-5-6-22-16(21)7-12/h5-14,27H,1-4H3;5-14,26H,4H2,1-3H3;4-15,25H,1-3H3;3-11,25H,1-2H3.
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide?
3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide has a molecular weight of 1895.67 g/mol, XLogP of 18.71, 28 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-(2-chlorophenyl)-N-methylpyridine-2-carboxamide;N-[5-chloro-2-(2-chloropyridine-4-carbonyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;N-[5-chloro-2-(6-ethoxypyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;5-chloro-N-methyl-N-phenyl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide is sourced from PubChem (CID 157337502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).