1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride

C48H46Cl2F10N10O6S2 — CID 157290627

About 1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride

1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride (PubChem CID 157290627) has the molecular formula C48H46Cl2F10N10O6S2 and a molecular weight of 1183.98 g/mol. Its IUPAC name is 1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride.

Molecular Properties

• Compound Name: 1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride
• PubChem CID: 157290627
• Molecular Formula: C48H46Cl2F10N10O6S2
• Molecular Weight: 1183.98 g/mol
• Exact Mass: 1182.23
• IUPAC Name: 1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride
• SMILES: Cc1ncc(-c2cnc(C(F)(F)F)nc2)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1.Cc1ncc(-c2cnc(C(F)(F)F)nc2)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1S(=O)(=O)c1ccc(F)cn1.Cl.O=S(=O)(Cl)c1ccc(F)cn1
• InChI: InChI=1S/C24H22F5N5O3S.C19H20F4N4O.C5H3ClFNO2S.ClH/c1-13-15(7-16(9-30-13)17-10-32-23(33-11-17)24(27,28)29)3-5-21(35)20-8-19(26)14(2)34(20)38(36,37)22-6-4-18(25)12-31-22;1-10-12(3-4-17(28)16-6-15(20)11(2)27-16)5-13(7-24-10)14-8-25-18(26-9-14)19(21,22)23;6-11(9,10)5-2-1-4(7)3-8-5;/h4,6-7,9-12,14,19-20H,3,5,8H2,1-2H3;5,7-9,11,15-16,27H,3-4,6H2,1-2H3;1-3H;1H/t14-,19+,20-;11-,15+,16-;;/m00../s1
• InChIKey: LPVPCZRBIZEFPM-SGGIZANUSA-N
• XLogP: 9.12
• TPSA: 220.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1183.98
LogP ≤ 5	9.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride?

The IUPAC name of 1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride (CID 157290627) is 1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride.

What is the SMILES notation for 1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride?

The canonical SMILES for 1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride is Cc1ncc(-c2cnc(C(F)(F)F)nc2)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1.Cc1ncc(-c2cnc(C(F)(F)F)nc2)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1S(=O)(=O)c1ccc(F)cn1.Cl.O=S(=O)(Cl)c1ccc(F)cn1.

What is the InChIKey of 1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride?

The InChIKey is LPVPCZRBIZEFPM-SGGIZANUSA-N. The full InChI is InChI=1S/C24H22F5N5O3S.C19H20F4N4O.C5H3ClFNO2S.ClH/c1-13-15(7-16(9-30-13)17-10-32-23(33-11-17)24(27,28)29)3-5-21(35)20-8-19(26)14(2)34(20)38(36,37)22-6-4-18(25)12-31-22;1-10-12(3-4-17(28)16-6-15(20)11(2)27-16)5-13(7-24-10)14-8-25-18(26-9-14)19(21,22)23;6-11(9,10)5-2-1-4(7)3-8-5;/h4,6-7,9-12,14,19-20H,3,5,8H2,1-2H3;5,7-9,11,15-16,27H,3-4,6H2,1-2H3;1-3H;1H/t14-,19+,20-;11-,15+,16-;;/m00../s1.

What are the key properties of 1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride?

1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride has a molecular weight of 1183.98 g/mol, XLogP of 9.12, 13 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,4R,5S)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[2-methyl-5-[2-(trifluoromethyl)pyrimidin-5-yl]-3-pyridinyl]propan-1-one;5-fluoropyridine-2-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 157290627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).