2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

C128H109Cl3F7N17O21S7 — CID 159017437

About 2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 159017437) has the molecular formula C128H109Cl3F7N17O21S7 and a molecular weight of 2685.19 g/mol. Its IUPAC name is 2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
• PubChem CID: 159017437
• Molecular Formula: C128H109Cl3F7N17O21S7
• Molecular Weight: 2685.19 g/mol
• Exact Mass: 2681.50
• IUPAC Name: 2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
• SMILES: CC(F)(F)c1ccc(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1F.CC(c1ccccc1Cl)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1.Cc1cc(Cl)c(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1C.Cc1cc(Cl)c(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1F.Cc1ccc(C(C)S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1.Cc1ccc(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1F.O=C(Nc1ccn(S(=O)(=O)C(F)c2ccccc2F)c1)c1ccccn1
• InChI: InChI=1S/C19H17ClN2O3S.C19H15F3N2O3S.C19H19N3O3S.C18H14ClFN2O3S.C18H16ClN3O3S.C18H15FN2O3S.C17H13F2N3O3S/c1-13-9-16(20)19(10-14(13)2)26(24,25)22-8-6-15(12-22)11-18(23)17-5-3-4-7-21-17;1-19(21,22)15-6-5-14(11-16(15)20)28(26,27)24-9-7-13(12-24)10-18(25)17-4-2-3-8-23-17;1-14-6-8-16(9-7-14)15(2)26(24,25)22-12-10-17(13-22)21-19(23)18-5-3-4-11-20-18;1-12-8-14(19)18(10-15(12)20)26(24,25)22-7-5-13(11-22)9-17(23)16-4-2-3-6-21-16;1-13(15-6-2-3-7-16(15)19)26(24,25)22-11-9-14(12-22)21-18(23)17-8-4-5-10-20-17;1-13-5-6-15(11-16(13)19)25(23,24)21-9-7-14(12-21)10-18(22)17-4-2-3-8-20-17;18-14-6-2-1-5-13(14)16(19)26(24,25)22-10-8-12(11-22)21-17(23)15-7-3-4-9-20-15/h3-10,12H,11H2,1-2H3;2-9,11-12H,10H2,1H3;3-13,15H,1-2H3,(H,21,23);2-8,10-11H,9H2,1H3;2-13H,1H3,(H,21,23);2-9,11-12H,10H2,1H3;1-11,16H,(H,21,23)
• InChIKey: JTGQGWXLIQCDDB-UHFFFAOYSA-N
• XLogP: 24.48
• TPSA: 519.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2685.19
LogP ≤ 5	24.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?

The IUPAC name of 2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (CID 159017437) is 2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for 2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?

The canonical SMILES for 2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is CC(F)(F)c1ccc(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1F.CC(c1ccccc1Cl)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1.Cc1cc(Cl)c(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1C.Cc1cc(Cl)c(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1F.Cc1ccc(C(C)S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1.Cc1ccc(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1F.O=C(Nc1ccn(S(=O)(=O)C(F)c2ccccc2F)c1)c1ccccn1.

What is the InChIKey of 2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?

The InChIKey is JTGQGWXLIQCDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S.C19H15F3N2O3S.C19H19N3O3S.C18H14ClFN2O3S.C18H16ClN3O3S.C18H15FN2O3S.C17H13F2N3O3S/c1-13-9-16(20)19(10-14(13)2)26(24,25)22-8-6-15(12-22)11-18(23)17-5-3-4-7-21-17;1-19(21,22)15-6-5-14(11-16(15)20)28(26,27)24-9-7-13(12-24)10-18(25)17-4-2-3-8-23-17;1-14-6-8-16(9-7-14)15(2)26(24,25)22-12-10-17(13-22)21-19(23)18-5-3-4-11-20-18;1-12-8-14(19)18(10-15(12)20)26(24,25)22-7-5-13(11-22)9-17(23)16-4-2-3-6-21-16;1-13(15-6-2-3-7-16(15)19)26(24,25)22-11-9-14(12-22)21-18(23)17-8-4-5-10-20-17;1-13-5-6-15(11-16(13)19)25(23,24)21-9-7-14(12-21)10-18(22)17-4-2-3-8-20-17;18-14-6-2-1-5-13(14)16(19)26(24,25)22-10-8-12(11-22)21-17(23)15-7-3-4-9-20-15/h3-10,12H,11H2,1-2H3;2-9,11-12H,10H2,1H3;3-13,15H,1-2H3,(H,21,23);2-8,10-11H,9H2,1H3;2-13H,1H3,(H,21,23);2-9,11-12H,10H2,1H3;1-11,16H,(H,21,23).

What are the key properties of 2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?

2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 2685.19 g/mol, XLogP of 24.48, 36 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-chloro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2-chloro-5-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(2-chlorophenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-[4-(1,1-difluoroethyl)-3-fluorophenyl]sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[fluoro-(2-fluorophenyl)methyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide;2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 159017437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).