8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide

C99H136Cl5N23O15S4 — CID 157298685

About 8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide

8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide (PubChem CID 157298685) has the molecular formula C99H136Cl5N23O15S4 and a molecular weight of 2193.86 g/mol. Its IUPAC name is 8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide
• PubChem CID: 157298685
• Molecular Formula: C99H136Cl5N23O15S4
• Molecular Weight: 2193.86 g/mol
• Exact Mass: 2189.79
• IUPAC Name: 8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide
• SMILES: CC(C)(C)CCN1CCN(c2ccc3c(n2)N2C(CCCNc4cccc(n4)S(=O)(=O)NC3=O)CCC2(C)C)C1=O.CC(C)(C)CCN1CCNC1=O.CC1(C)CCC(CCCNc2cccc(S(=O)(=O)NC(=O)c3ccc(Cl)nc3Cl)n2)N1.CC1(C)CCC(CCCNc2cccc(S(N)(=O)=O)n2)C1.CC1(C)CCC2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(Cl)nc3N21.O=C(O)c1ccc(Cl)nc1Cl
• InChI: InChI=1S/C29H41N7O4S.C20H25Cl2N5O3S.C20H24ClN5O3S.C15H25N3O2S.C9H18N2O.C6H3Cl2NO2/c1-28(2,3)15-17-34-18-19-35(27(34)38)23-12-11-21-25(32-23)36-20(13-14-29(36,4)5)8-7-16-30-22-9-6-10-24(31-22)41(39,40)33-26(21)37;1-20(2)11-10-13(26-20)5-4-12-23-16-6-3-7-17(25-16)31(29,30)27-19(28)14-8-9-15(21)24-18(14)22;1-20(2)11-10-13-5-4-12-22-16-6-3-7-17(24-16)30(28,29)25-19(27)14-8-9-15(21)23-18(14)26(13)20;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20;1-9(2,3)4-6-11-7-5-10-8(11)12;7-4-2-1-3(6(10)11)5(8)9-4/h6,9-12,20H,7-8,13-19H2,1-5H3,(H,30,31)(H,33,37);3,6-9,13,26H,4-5,10-12H2,1-2H3,(H,23,25)(H,27,28);3,6-9,13H,4-5,10-12H2,1-2H3,(H,22,24)(H,25,27);3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20);4-7H2,1-3H3,(H,10,12);1-2H,(H,10,11)
• InChIKey: BBQGLRLLJRTUEV-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 512.82 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.86
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide?

The IUPAC name of 8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide (CID 157298685) is 8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide.

What is the SMILES notation for 8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide?

The canonical SMILES for 8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide is CC(C)(C)CCN1CCN(c2ccc3c(n2)N2C(CCCNc4cccc(n4)S(=O)(=O)NC3=O)CCC2(C)C)C1=O.CC(C)(C)CCN1CCNC1=O.CC1(C)CCC(CCCNc2cccc(S(=O)(=O)NC(=O)c3ccc(Cl)nc3Cl)n2)N1.CC1(C)CCC(CCCNc2cccc(S(N)(=O)=O)n2)C1.CC1(C)CCC2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(Cl)nc3N21.O=C(O)c1ccc(Cl)nc1Cl.

What is the InChIKey of 8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide?

The InChIKey is BBQGLRLLJRTUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N7O4S.C20H25Cl2N5O3S.C20H24ClN5O3S.C15H25N3O2S.C9H18N2O.C6H3Cl2NO2/c1-28(2,3)15-17-34-18-19-35(27(34)38)23-12-11-21-25(32-23)36-20(13-14-29(36,4)5)8-7-16-30-22-9-6-10-24(31-22)41(39,40)33-26(21)37;1-20(2)11-10-13(26-20)5-4-12-23-16-6-3-7-17(25-16)31(29,30)27-19(28)14-8-9-15(21)24-18(14)22;1-20(2)11-10-13-5-4-12-22-16-6-3-7-17(24-16)30(28,29)25-19(27)14-8-9-15(21)23-18(14)26(13)20;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20;1-9(2,3)4-6-11-7-5-10-8(11)12;7-4-2-1-3(6(10)11)5(8)9-4/h6,9-12,20H,7-8,13-19H2,1-5H3,(H,30,31)(H,33,37);3,6-9,13,26H,4-5,10-12H2,1-2H3,(H,23,25)(H,27,28);3,6-9,13H,4-5,10-12H2,1-2H3,(H,22,24)(H,25,27);3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20);4-7H2,1-3H3,(H,10,12);1-2H,(H,10,11).

What are the key properties of 8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide?

8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide has a molecular weight of 2193.86 g/mol, XLogP of 17.33, 20 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;1-(3,3-dimethylbutyl)imidazolidin-2-one;8-[3-(3,3-dimethylbutyl)-2-oxoimidazolidin-1-yl]-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,19,24-pentazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5(10),6,8,20(24),21-hexaen-4-one;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide is sourced from PubChem (CID 157298685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).