6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;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-fluoropyridine-2-sulfonyl chloride

C49H54Br2ClF2N9O8S2 — CID 158924183

About 6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;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-fluoropyridine-2-sulfonyl chloride

6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;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-fluoropyridine-2-sulfonyl chloride (PubChem CID 158924183) has the molecular formula C49H54Br2ClF2N9O8S2 and a molecular weight of 1194.42 g/mol. Its IUPAC name is 6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;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-fluoropyridine-2-sulfonyl chloride.

Molecular Properties

• Compound Name: 6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;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-fluoropyridine-2-sulfonyl chloride
• PubChem CID: 158924183
• Molecular Formula: C49H54Br2ClF2N9O8S2
• Molecular Weight: 1194.42 g/mol
• Exact Mass: 1191.16
• IUPAC Name: 6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;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-fluoropyridine-2-sulfonyl chloride
• SMILES: CC1(C)C[C@H](CCCN2C(=O)c3ccccc3C2=O)CN1c1nc(Br)ccc1C(=O)NS(=O)(=O)c1cccc(F)n1.CCCC[C@@H]1CN(c2nc(Br)ccc2C(N)=O)C(C)(C)C1.O=S(=O)(Cl)c1cccc(F)n1
• InChI: InChI=1S/C28H27BrFN5O5S.C16H24BrN3O.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;1-4-5-6-11-9-16(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/h3-5,8-13,17H,6-7,14-16H2,1-2H3,(H,33,36);7-8,11H,4-6,9-10H2,1-3H3,(H2,18,21);1-3H/t17-;11-;/m00./s1
• InChIKey: JIFHWOCOQHYXQF-DDXHIYCESA-N
• XLogP: 9.06
• TPSA: 235.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1194.42
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;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-fluoropyridine-2-sulfonyl chloride (CID 158924183) is 6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;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-fluoropyridine-2-sulfonyl chloride.

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

The canonical SMILES for 6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;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-fluoropyridine-2-sulfonyl chloride is CC1(C)C[C@H](CCCN2C(=O)c3ccccc3C2=O)CN1c1nc(Br)ccc1C(=O)NS(=O)(=O)c1cccc(F)n1.CCCC[C@@H]1CN(c2nc(Br)ccc2C(N)=O)C(C)(C)C1.O=S(=O)(Cl)c1cccc(F)n1.

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

The InChIKey is JIFHWOCOQHYXQF-DDXHIYCESA-N. The full InChI is InChI=1S/C28H27BrFN5O5S.C16H24BrN3O.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;1-4-5-6-11-9-16(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/h3-5,8-13,17H,6-7,14-16H2,1-2H3,(H,33,36);7-8,11H,4-6,9-10H2,1-3H3,(H2,18,21);1-3H/t17-;11-;/m00./s1.

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

6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;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-fluoropyridine-2-sulfonyl chloride has a molecular weight of 1194.42 g/mol, XLogP of 9.06, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-[(4S)-4-butyl-2,2-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide;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-fluoropyridine-2-sulfonyl chloride is sourced from PubChem (CID 158924183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).