2-[1-(5-chloro-2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;bis(2-[1-(2,3-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone);2-[1-(2-fluoro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-pyridin-2-ylethanone;N-[1-[(4-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

C169H150Cl2F3N21O27S9 — CID 159017935

About 2-[1-(5-chloro-2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;bis(2-[1-(2,3-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone);2-[1-(2-fluoro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-pyridin-2-ylethanone;N-[1-[(4-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

2-[1-(5-chloro-2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;bis(2-[1-(2,3-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone);2-[1-(2-fluoro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-pyridin-2-ylethanone;N-[1-[(4-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 159017935) has the molecular formula C169H150Cl2F3N21O27S9 and a molecular weight of 3323.68 g/mol. Its IUPAC name is 2-[1-(5-chloro-2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;bis(2-[1-(2,3-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone);2-[1-(2-fluoro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-pyridin-2-ylethanone;N-[1-[(4-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(5-chloro-2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;bis(2-[1-(2,3-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone);2-[1-(2-fluoro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-pyridin-2-ylethanone;N-[1-[(4-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
• PubChem CID: 159017935
• Molecular Formula: C169H150Cl2F3N21O27S9
• Molecular Weight: 3323.68 g/mol
• Exact Mass: 3319.78
• IUPAC Name: 2-[1-(5-chloro-2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;bis(2-[1-(2,3-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone);2-[1-(2-fluoro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-pyridin-2-ylethanone;N-[1-[(4-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
• SMILES: Cc1cc(C)c(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1Cl.Cc1cc(F)c(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1C.Cc1cc(F)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)n2cc(CC(=O)c3ccccn3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1Cl.Cc1cccc(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)c1C.Cc1cccc(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)c1C.Cc1ccnc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1
• InChI: InChI=1S/C22H18N2O3S.C19H17ClN2O3S.C19H17FN2O3S.C19H19N3O3S.2C19H18N2O3S.C18H15ClN2O3S.C18H14F2N2O3S.C16H14N4O3S/c1-16-9-11-18(12-10-16)28(26,27)24-15-17(19-6-2-3-8-21(19)24)14-22(25)20-7-4-5-13-23-20;1-13-9-14(2)19(11-16(13)20)26(24,25)22-8-6-15(12-22)10-18(23)17-5-3-4-7-21-17;1-13-9-16(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;1-14-6-8-16(9-7-14)15(2)26(24,25)22-12-10-17(13-22)21-19(23)18-5-3-4-11-20-18;2*1-14-6-5-8-19(15(14)2)25(23,24)21-11-9-16(13-21)12-18(22)17-7-3-4-10-20-17;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;1-12-8-15(20)18(10-14(12)19)26(24,25)22-7-5-13(11-22)9-17(23)16-4-2-3-6-21-16;1-12-5-8-18-15(10-12)24(22,23)20-9-6-13(11-20)19-16(21)14-4-2-3-7-17-14/h2-13,15H,14H2,1H3;3-9,11-12H,10H2,1-2H3;3-10,12H,11H2,1-2H3;3-13,15H,1-2H3,(H,21,23);2*3-11,13H,12H2,1-2H3;2-9,11-12H,10H2,1H3;2-8,10-11H,9H2,1H3;2-11H,1H3,(H,19,21)
• InChIKey: JTIBGXOOWMTOPY-UHFFFAOYSA-N
• XLogP: 29.55
• TPSA: 658.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 46
• Rotatable Bonds: 44
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3323.68
LogP ≤ 5	29.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

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

The IUPAC name of 2-[1-(5-chloro-2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;bis(2-[1-(2,3-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone);2-[1-(2-fluoro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-pyridin-2-ylethanone;N-[1-[(4-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (CID 159017935) is 2-[1-(5-chloro-2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;bis(2-[1-(2,3-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone);2-[1-(2-fluoro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-pyridin-2-ylethanone;N-[1-[(4-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

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

The canonical SMILES for 2-[1-(5-chloro-2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;bis(2-[1-(2,3-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone);2-[1-(2-fluoro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-pyridin-2-ylethanone;N-[1-[(4-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is Cc1cc(C)c(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1Cl.Cc1cc(F)c(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1C.Cc1cc(F)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)n2cc(CC(=O)c3ccccn3)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)cc1Cl.Cc1cccc(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)c1C.Cc1cccc(S(=O)(=O)n2ccc(CC(=O)c3ccccn3)c2)c1C.Cc1ccnc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.

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

The InChIKey is JTIBGXOOWMTOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S.C19H17ClN2O3S.C19H17FN2O3S.C19H19N3O3S.2C19H18N2O3S.C18H15ClN2O3S.C18H14F2N2O3S.C16H14N4O3S/c1-16-9-11-18(12-10-16)28(26,27)24-15-17(19-6-2-3-8-21(19)24)14-22(25)20-7-4-5-13-23-20;1-13-9-14(2)19(11-16(13)20)26(24,25)22-8-6-15(12-22)10-18(23)17-5-3-4-7-21-17;1-13-9-16(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;1-14-6-8-16(9-7-14)15(2)26(24,25)22-12-10-17(13-22)21-19(23)18-5-3-4-11-20-18;2*1-14-6-5-8-19(15(14)2)25(23,24)21-11-9-16(13-21)12-18(22)17-7-3-4-10-20-17;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;1-12-8-15(20)18(10-14(12)19)26(24,25)22-7-5-13(11-22)9-17(23)16-4-2-3-6-21-16;1-12-5-8-18-15(10-12)24(22,23)20-9-6-13(11-20)19-16(21)14-4-2-3-7-17-14/h2-13,15H,14H2,1H3;3-9,11-12H,10H2,1-2H3;3-10,12H,11H2,1-2H3;3-13,15H,1-2H3,(H,21,23);2*3-11,13H,12H2,1-2H3;2-9,11-12H,10H2,1H3;2-8,10-11H,9H2,1H3;2-11H,1H3,(H,19,21).

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

2-[1-(5-chloro-2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;bis(2-[1-(2,3-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone);2-[1-(2-fluoro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-pyridin-2-ylethanone;N-[1-[(4-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 3323.68 g/mol, XLogP of 29.55, 44 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(5-chloro-2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;2-[1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;bis(2-[1-(2,3-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone);2-[1-(2-fluoro-4,5-dimethylphenyl)sulfonylpyrrol-3-yl]-1-pyridin-2-ylethanone;N-[1-[1-(4-methylphenyl)ethylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;2-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-pyridin-2-ylethanone;N-[1-[(4-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 159017935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).