4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide

C95H98Cl4FN11O15S4 — CID 158607251

IUPAC4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide
SMILESCC(C)C(=O)Cc1cccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N(c2ccccc2)C(C)C)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(F)c2)cn1.Cc1ccccc1N(C)C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H29ClN2O4S.C24H26ClN3O4S.C24H26ClN3O3S.C20H17ClFN3O4S/c1-17(2)24(31)14-18-7-6-8-19(13-18)26(32)25-23(15-21(28)16-29-25)30-35(33,34)22-11-9-20(10-12-22)27(3,4)5;1-16(2)28(19-8-6-5-7-9-19)24(29)23-22(14-18(25)15-26-23)27-33(30,31)21-12-10-20(11-13-21)32-17(3)4;1-16-8-6-7-9-21(16)28(5)23(29)22-20(14-18(25)15-26-22)27-32(30,31)19-12-10-17(11-13-19)24(2,3)4;1-12(2)29-18-7-6-16(11-23-18)30(27,28)25-17-9-14(21)10-24-19(17)20(26)13-4-3-5-15(22)8-13/h6-13,15-17,30H,14H2,1-5H3;5-17,27H,1-4H3;6-15,27H,1-5H3;3-12,25H,1-2H3
InChIKeyHWJRKDJYKGZQRT-UHFFFAOYSA-N
MW1922.97 g/mol
LogP20.72
Rot. Bonds28

About 4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide

4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide (PubChem CID 158607251) has the molecular formula C95H98Cl4FN11O15S4 and a molecular weight of 1922.97 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide
PubChem CID158607251
Molecular FormulaC95H98Cl4FN11O15S4
Molecular Weight1922.97 g/mol
Exact Mass1919.49
IUPAC Name4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide
SMILESCC(C)C(=O)Cc1cccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N(c2ccccc2)C(C)C)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(F)c2)cn1.Cc1ccccc1N(C)C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H29ClN2O4S.C24H26ClN3O4S.C24H26ClN3O3S.C20H17ClFN3O4S/c1-17(2)24(31)14-18-7-6-8-19(13-18)26(32)25-23(15-21(28)16-29-25)30-35(33,34)22-11-9-20(10-12-22)27(3,4)5;1-16(2)28(19-8-6-5-7-9-19)24(29)23-22(14-18(25)15-26-23)27-33(30,31)21-12-10-20(11-13-21)32-17(3)4;1-16-8-6-7-9-21(16)28(5)23(29)22-20(14-18(25)15-26-22)27-32(30,31)19-12-10-17(11-13-19)24(2,3)4;1-12(2)29-18-7-6-16(11-23-18)30(27,28)25-17-9-14(21)10-24-19(17)20(26)13-4-3-5-15(22)8-13/h6-13,15-17,30H,14H2,1-5H3;5-17,27H,1-4H3;6-15,27H,1-5H3;3-12,25H,1-2H3
InChIKeyHWJRKDJYKGZQRT-UHFFFAOYSA-N
XLogP20.72
TPSA359.42 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001922.97
LogP ≤ 520.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide?
The IUPAC name of 4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide (CID 158607251) is 4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide is CC(C)C(=O)Cc1cccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N(c2ccccc2)C(C)C)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccc(F)c2)cn1.Cc1ccccc1N(C)C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide?
The InChIKey is HWJRKDJYKGZQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O4S.C24H26ClN3O4S.C24H26ClN3O3S.C20H17ClFN3O4S/c1-17(2)24(31)14-18-7-6-8-19(13-18)26(32)25-23(15-21(28)16-29-25)30-35(33,34)22-11-9-20(10-12-22)27(3,4)5;1-16(2)28(19-8-6-5-7-9-19)24(29)23-22(14-18(25)15-26-23)27-33(30,31)21-12-10-20(11-13-21)32-17(3)4;1-16-8-6-7-9-21(16)28(5)23(29)22-20(14-18(25)15-26-22)27-32(30,31)19-12-10-17(11-13-19)24(2,3)4;1-12(2)29-18-7-6-16(11-23-18)30(27,28)25-17-9-14(21)10-24-19(17)20(26)13-4-3-5-15(22)8-13/h6-13,15-17,30H,14H2,1-5H3;5-17,27H,1-4H3;6-15,27H,1-5H3;3-12,25H,1-2H3.
What are the key properties of 4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide?
4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide has a molecular weight of 1922.97 g/mol, XLogP of 20.72, 28 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-chloro-2-[3-(3-methyl-2-oxobutyl)benzoyl]-3-pyridinyl]benzenesulfonamide;3-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-2-carboxamide;N-[5-chloro-2-(3-fluorobenzoyl)-3-pyridinyl]-6-propan-2-yloxypyridine-3-sulfonamide;5-chloro-N-phenyl-N-propan-2-yl-3-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-2-carboxamide is sourced from PubChem (CID 158607251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).