deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide

C74H62ClF5IN8O11S3- — CID 159817457

About deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide

deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide (PubChem CID 159817457) has the molecular formula C74H62ClF5IN8O11S3- and a molecular weight of 1598.94 g/mol. Its IUPAC name is deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide.

Molecular Properties

• Compound Name: deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide
• PubChem CID: 159817457
• Molecular Formula: C74H62ClF5IN8O11S3-
• Molecular Weight: 1598.94 g/mol
• Exact Mass: 1597.27
• IUPAC Name: deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide
• SMILES: CCOC(=O)c1c[nH]c(-c2ccccc2F)c1.O=S(=O)(Cl)c1cccnc1.[2H]C(=O)c1c[nH]c(-c2ccccc2F)c1.[2H]C(=O)c1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1.[2H]C([2H])(CC)c1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1.[2H]C([2H])(O)c1c[nH]c(-c2ccccc2F)c1.[I-]
• InChI: InChI=1S/C18H17FN2O2S.C16H11FN2O3S.C13H12FNO2.C11H10FNO.C11H8FNO.C5H4ClNO2S.HI/c1-2-6-14-11-18(16-8-3-4-9-17(16)19)21(13-14)24(22,23)15-7-5-10-20-12-15;17-15-6-2-1-5-14(15)16-8-12(11-20)10-19(16)23(21,22)13-4-3-7-18-9-13;1-2-17-13(16)9-7-12(15-8-9)10-5-3-4-6-11(10)14;2*12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11;6-10(8,9)5-2-1-3-7-4-5;/h3-5,7-13H,2,6H2,1H3;1-11H;3-8,15H,2H2,1H3;1-6,13-14H,7H2;1-7,13H;1-4H;1H/p-1/i6D2;11D;;7D2;7D
• InChIKey: WEILTTUQWVHYGR-IRUHJVDPSA-M
• XLogP: 12.57
• TPSA: 278.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1598.94
LogP ≤ 5	12.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide?

The IUPAC name of deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide (CID 159817457) is deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide.

What is the SMILES notation for deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide?

The canonical SMILES for deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide is CCOC(=O)c1c[nH]c(-c2ccccc2F)c1.O=S(=O)(Cl)c1cccnc1.[2H]C(=O)c1c[nH]c(-c2ccccc2F)c1.[2H]C(=O)c1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1.[2H]C([2H])(CC)c1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1.[2H]C([2H])(O)c1c[nH]c(-c2ccccc2F)c1.[I-].

What is the InChIKey of deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide?

The InChIKey is WEILTTUQWVHYGR-IRUHJVDPSA-M. The full InChI is InChI=1S/C18H17FN2O2S.C16H11FN2O3S.C13H12FNO2.C11H10FNO.C11H8FNO.C5H4ClNO2S.HI/c1-2-6-14-11-18(16-8-3-4-9-17(16)19)21(13-14)24(22,23)15-7-5-10-20-12-15;17-15-6-2-1-5-14(15)16-8-12(11-20)10-19(16)23(21,22)13-4-3-7-18-9-13;1-2-17-13(16)9-7-12(15-8-9)10-5-3-4-6-11(10)14;2*12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11;6-10(8,9)5-2-1-3-7-4-5;/h3-5,7-13H,2,6H2,1H3;1-11H;3-8,15H,2H2,1H3;1-6,13-14H,7H2;1-7,13H;1-4H;1H/p-1/i6D2;11D;;7D2;7D;;.

What are the key properties of deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide?

deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide has a molecular weight of 1598.94 g/mol, XLogP of 12.57, 17 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanone;deuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanone;dideuterio-[5-(2-fluorophenyl)-1H-pyrrol-3-yl]methanol;3-[4-(1,1-dideuteriopropyl)-2-(2-fluorophenyl)pyrrol-1-yl]sulfonylpyridine;ethyl 5-(2-fluorophenyl)-1H-pyrrole-3-carboxylate;pyridine-3-sulfonyl chloride;iodide is sourced from PubChem (CID 159817457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).