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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate

C67H58Br2ClF8N11O13S3 — CID 159451763

About 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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate

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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate (PubChem CID 159451763) has the molecular formula C67H58Br2ClF8N11O13S3 and a molecular weight of 1668.71 g/mol. Its IUPAC name is 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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate.

Molecular Properties

• Compound Name: 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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate
• PubChem CID: 159451763
• Molecular Formula: C67H58Br2ClF8N11O13S3
• Molecular Weight: 1668.71 g/mol
• Exact Mass: 1665.13
• IUPAC Name: 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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate
• SMILES: CC1(C)C[C@H](CCCN2C(=O)c3ccccc3C2=O)CN1c1nc(Br)ccc1C(=O)NS(=O)(=O)c1cccc(F)n1.CC1(C)C[C@H](CCCN2C(=O)c3ccccc3C2=O)CN1c1nc(Br)ccc1C(N)=O.O=S(=O)(Cl)c1cccc(F)n1.O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1cccc(F)n1
• InChI: InChI=1S/C28H27BrFN5O5S.C23H25BrN4O3.C11H3F6NO3S.C5H3ClFNO2S/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;1-23(2)12-14(13-28(23)20-17(19(25)29)9-10-18(24)26-20)6-5-11-27-21(30)15-7-3-4-8-16(15)22(27)31;12-4-2-1-3-5(18-4)22(19,20)21-11-9(16)7(14)6(13)8(15)10(11)17;6-11(9,10)5-3-1-2-4(7)8-5/h3-5,8-13,17H,6-7,14-16H2,1-2H3,(H,33,36);3-4,7-10,14H,5-6,11-13H2,1-2H3,(H2,25,29);1-3H;1-3H/t17-;14-;;/m00../s1
• InChIKey: LTLUONCQSRGZCF-RQMIFYOSSA-N
• XLogP: 11.63
• TPSA: 329.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1668.71
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate?

The IUPAC name of 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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate (CID 159451763) is 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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate.

What is the SMILES notation for 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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate?

The canonical SMILES for 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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate is CC1(C)C[C@H](CCCN2C(=O)c3ccccc3C2=O)CN1c1nc(Br)ccc1C(=O)NS(=O)(=O)c1cccc(F)n1.CC1(C)C[C@H](CCCN2C(=O)c3ccccc3C2=O)CN1c1nc(Br)ccc1C(N)=O.O=S(=O)(Cl)c1cccc(F)n1.O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1cccc(F)n1.

What is the InChIKey of 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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate?

The InChIKey is LTLUONCQSRGZCF-RQMIFYOSSA-N. The full InChI is InChI=1S/C28H27BrFN5O5S.C23H25BrN4O3.C11H3F6NO3S.C5H3ClFNO2S/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;1-23(2)12-14(13-28(23)20-17(19(25)29)9-10-18(24)26-20)6-5-11-27-21(30)15-7-3-4-8-16(15)22(27)31;12-4-2-1-3-5(18-4)22(19,20)21-11-9(16)7(14)6(13)8(15)10(11)17;6-11(9,10)5-3-1-2-4(7)8-5/h3-5,8-13,17H,6-7,14-16H2,1-2H3,(H,33,36);3-4,7-10,14H,5-6,11-13H2,1-2H3,(H2,25,29);1-3H;1-3H/t17-;14-;;/m00../s1.

What are the key properties of 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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate?

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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate has a molecular weight of 1668.71 g/mol, XLogP of 11.63, 18 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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;6-bromo-2-[(4S)-4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-fluoropyridine-2-sulfonyl chloride;(2,3,4,5,6-pentafluorophenyl) 6-fluoropyridine-2-sulfonate is sourced from PubChem (CID 159451763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).