2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride

C117H132Br5ClF4N24O20S5 — CID 159788553

About 2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride

2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride (PubChem CID 159788553) has the molecular formula C117H132Br5ClF4N24O20S5 and a molecular weight of 2865.79 g/mol. Its IUPAC name is 2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride.

Molecular Properties

• Compound Name: 2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride
• PubChem CID: 159788553
• Molecular Formula: C117H132Br5ClF4N24O20S5
• Molecular Weight: 2865.79 g/mol
• Exact Mass: 2858.42
• IUPAC Name: 2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride
• SMILES: CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(Br)nc3N1C2.CC1(C)C[C@H](CCCN)CN1c1nc(Br)ccc1C(=O)NS(=O)(=O)c1cccc(F)n1.CC1(C)C[C@H](CCCN2C(=O)c3ccccc3C2=O)CN1c1nc(Br)ccc1C(=O)NS(=O)(=O)c1cccc(F)n1.CC1(C)C[C@H](CCCNC(=O)c2ccccc2)CN1c1nc(Br)ccc1C(=O)NS(=O)(=O)c1cccc(F)n1.CCCC[C@@H]1CN(c2nc(Br)ccc2C(N)=O)C(C)(C)C1.O=C=O.O=S(=O)(Cl)c1cccc(F)n1
• InChI: InChI=1S/C28H27BrFN5O5S.C27H29BrFN5O4S.C20H25BrFN5O3S.C20H24BrN5O3S.C16H24BrN3O.C5H3ClFNO2S.CO2/c1-28(2)15-17(7-6-14-34-26(37)18-8-3-4-9-19(18)27(34)38)16-35(28)24-20(12-13-21(29)31-24)25(36)33-41(39,40)23-11-5-10-22(30)32-23;1-27(2)16-18(8-7-15-30-25(35)19-9-4-3-5-10-19)17-34(27)24-20(13-14-21(28)31-24)26(36)33-39(37,38)23-12-6-11-22(29)32-23;1-20(2)11-13(5-4-10-23)12-27(20)18-14(8-9-15(21)24-18)19(28)26-31(29,30)17-7-3-6-16(22)25-17;1-20(2)11-13-5-4-10-22-16-6-3-7-17(24-16)30(28,29)25-19(27)14-8-9-15(21)23-18(14)26(20)12-13;1-4-5-6-11-9-16(2,3)20(10-11)15-12(14(18)21)7-8-13(17)19-15;6-11(9,10)5-3-1-2-4(7)8-5;2-1-3/h3-5,8-13,17H,6-7,14-16H2,1-2H3,(H,33,36);3-6,9-14,18H,7-8,15-17H2,1-2H3,(H,30,35)(H,33,36);3,6-9,13H,4-5,10-12,23H2,1-2H3,(H,26,28);3,6-9,13H,4-5,10-12H2,1-2H3,(H,22,24)(H,25,27);7-8,11H,4-6,9-10H2,1-3H3,(H2,18,21);1-3H;/t17-;18-;2*13-;11-;;/m00000../s1
• InChIKey: NIGNZDQXAYOKLU-XPZDHZHESA-N
• XLogP: 18.80
• TPSA: 613.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2865.79
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride?

The IUPAC name of 2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride (CID 159788553) is 2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride.

What is the SMILES notation for 2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride?

The canonical SMILES for 2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride is CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(Br)nc3N1C2.CC1(C)C[C@H](CCCN)CN1c1nc(Br)ccc1C(=O)NS(=O)(=O)c1cccc(F)n1.CC1(C)C[C@H](CCCN2C(=O)c3ccccc3C2=O)CN1c1nc(Br)ccc1C(=O)NS(=O)(=O)c1cccc(F)n1.CC1(C)C[C@H](CCCNC(=O)c2ccccc2)CN1c1nc(Br)ccc1C(=O)NS(=O)(=O)c1cccc(F)n1.CCCC[C@@H]1CN(c2nc(Br)ccc2C(N)=O)C(C)(C)C1.O=C=O.O=S(=O)(Cl)c1cccc(F)n1.

What is the InChIKey of 2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride?

The InChIKey is NIGNZDQXAYOKLU-XPZDHZHESA-N. The full InChI is InChI=1S/C28H27BrFN5O5S.C27H29BrFN5O4S.C20H25BrFN5O3S.C20H24BrN5O3S.C16H24BrN3O.C5H3ClFNO2S.CO2/c1-28(2)15-17(7-6-14-34-26(37)18-8-3-4-9-19(18)27(34)38)16-35(28)24-20(12-13-21(29)31-24)25(36)33-41(39,40)23-11-5-10-22(30)32-23;1-27(2)16-18(8-7-15-30-25(35)19-9-4-3-5-10-19)17-34(27)24-20(13-14-21(28)31-24)26(36)33-39(37,38)23-12-6-11-22(29)32-23;1-20(2)11-13(5-4-10-23)12-27(20)18-14(8-9-15(21)24-18)19(28)26-31(29,30)17-7-3-6-16(22)25-17;1-20(2)11-13-5-4-10-22-16-6-3-7-17(24-16)30(28,29)25-19(27)14-8-9-15(21)23-18(14)26(20)12-13;1-4-5-6-11-9-16(2,3)20(10-11)15-12(14(18)21)7-8-13(17)19-15;6-11(9,10)5-3-1-2-4(7)8-5;2-1-3/h3-5,8-13,17H,6-7,14-16H2,1-2H3,(H,33,36);3-6,9-14,18H,7-8,15-17H2,1-2H3,(H,30,35)(H,33,36);3,6-9,13H,4-5,10-12,23H2,1-2H3,(H,26,28);3,6-9,13H,4-5,10-12H2,1-2H3,(H,22,24)(H,25,27);7-8,11H,4-6,9-10H2,1-3H3,(H2,18,21);1-3H;/t17-;18-;2*13-;11-;;/m00000../s1.

What are the key properties of 2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride?

2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride has a molecular weight of 2865.79 g/mol, XLogP of 18.80, 30 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-(3-aminopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;2-[(4S)-4-(3-benzamidopropyl)-2,2-dimethylpyrrolidin-1-yl]-6-bromo-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;(14S)-8-bromo-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]-N-[(6-fluoro-2-pyridinyl)sulfonyl]pyridine-3-carboxamide;carbon dioxide;6-fluoropyridine-2-sulfonyl chloride is sourced from PubChem (CID 159788553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).