4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide

C85H82Cl4N12O15S4 — CID 160613129

IUPAC4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccc(=O)[nH]c2)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccnc2)cc1.COc1ccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1.Cc1ncccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H22ClN3O4S.2C21H20ClN3O4S.C21H20ClN3O3S/c1-22(2,3)15-6-8-17(9-7-15)31(28,29)26-18-11-16(23)13-25-20(18)21(27)14-5-10-19(30-4)24-12-14;1-21(2,3)14-5-7-16(8-6-14)30(28,29)25-17-10-15(22)12-24-19(17)20(27)13-4-9-18(26)23-11-13;1-13(2)29-16-6-8-17(9-7-16)30(27,28)25-19-11-15(22)12-24-20(19)21(26)18-5-4-10-23-14(18)3;1-21(2,3)15-6-8-17(9-7-15)29(27,28)25-18-11-16(22)13-24-19(18)20(26)14-5-4-10-23-12-14/h5-13,26H,1-4H3;4-12,25H,1-3H3,(H,23,26);4-13,25H,1-3H3;4-13,25H,1-3H3
InChIKeyRFSVJAMUZZMFGO-UHFFFAOYSA-N
MW1781.74 g/mol
LogP16.94
Rot. Bonds23

About 4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide

4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 160613129) has the molecular formula C85H82Cl4N12O15S4 and a molecular weight of 1781.74 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID160613129
Molecular FormulaC85H82Cl4N12O15S4
Molecular Weight1781.74 g/mol
Exact Mass1778.37
IUPAC Name4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccc(=O)[nH]c2)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccnc2)cc1.COc1ccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1.Cc1ncccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H22ClN3O4S.2C21H20ClN3O4S.C21H20ClN3O3S/c1-22(2,3)15-6-8-17(9-7-15)31(28,29)26-18-11-16(23)13-25-20(18)21(27)14-5-10-19(30-4)24-12-14;1-21(2,3)14-5-7-16(8-6-14)30(28,29)25-17-10-15(22)12-24-19(17)20(27)13-4-9-18(26)23-11-13;1-13(2)29-16-6-8-17(9-7-16)30(27,28)25-19-11-15(22)12-24-20(19)21(26)18-5-4-10-23-14(18)3;1-21(2,3)15-6-8-17(9-7-15)29(27,28)25-18-11-16(22)13-24-19(18)20(26)14-5-4-10-23-12-14/h5-13,26H,1-4H3;4-12,25H,1-3H3,(H,23,26);4-13,25H,1-3H3;4-13,25H,1-3H3
InChIKeyRFSVJAMUZZMFGO-UHFFFAOYSA-N
XLogP16.94
TPSA394.51 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001781.74
LogP ≤ 516.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide (CID 160613129) is 4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccc(=O)[nH]c2)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccnc2)cc1.COc1ccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1.Cc1ncccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is RFSVJAMUZZMFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S.2C21H20ClN3O4S.C21H20ClN3O3S/c1-22(2,3)15-6-8-17(9-7-15)31(28,29)26-18-11-16(23)13-25-20(18)21(27)14-5-10-19(30-4)24-12-14;1-21(2,3)14-5-7-16(8-6-14)30(28,29)25-17-10-15(22)12-24-19(17)20(27)13-4-9-18(26)23-11-13;1-13(2)29-16-6-8-17(9-7-16)30(27,28)25-19-11-15(22)12-24-20(19)21(26)18-5-4-10-23-14(18)3;1-21(2,3)15-6-8-17(9-7-15)29(27,28)25-18-11-16(22)13-24-19(18)20(26)14-5-4-10-23-12-14/h5-13,26H,1-4H3;4-12,25H,1-3H3,(H,23,26);4-13,25H,1-3H3;4-13,25H,1-3H3.
What are the key properties of 4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 1781.74 g/mol, XLogP of 16.94, 23 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-chloro-2-(6-methoxypyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(6-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;4-tert-butyl-N-[5-chloro-2-(pyridine-3-carbonyl)-3-pyridinyl]benzenesulfonamide;N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 160613129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).