2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide

C128H109ClF3N15O21S9 — CID 159309158

About 2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide

2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 159309158) has the molecular formula C128H109ClF3N15O21S9 and a molecular weight of 2574.41 g/mol. Its IUPAC name is 2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
• PubChem CID: 159309158
• Molecular Formula: C128H109ClF3N15O21S9
• Molecular Weight: 2574.41 g/mol
• Exact Mass: 2571.50
• IUPAC Name: 2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
• SMILES: CC(F)(F)c1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.Cc1cccc(C(=O)Cc2ccn(S(=O)(=O)Cc3ccccc3)c2)n1.O=C(Cc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1cccc(F)n1.O=C(Cc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1cscn1.O=C(Cc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1nccs1.O=C(Cc1ccn(S(=O)(=O)c2ccccc2Cl)c1)c1ccccc1.O=C(Nc1ccn(S(=O)(=O)c2cccc(-c3ccccc3)c2)c1)c1ccccn1
• InChI: InChI=1S/C22H17N3O3S.C19H17F2N3O3S.C19H18N2O3S.C18H14ClNO3S.C18H15FN2O3S.2C16H14N2O3S2/c26-22(21-11-4-5-13-23-21)24-19-12-14-25(16-19)29(27,28)20-10-6-9-18(15-20)17-7-2-1-3-8-17;1-19(20,21)15-6-4-5-14(11-15)13-28(26,27)24-10-8-16(12-24)23-18(25)17-7-2-3-9-22-17;1-15-6-5-9-18(20-15)19(22)12-17-10-11-21(13-17)25(23,24)14-16-7-3-2-4-8-16;19-16-8-4-5-9-18(16)24(22,23)20-11-10-14(13-20)12-17(21)15-6-2-1-3-7-15;19-18-8-4-7-16(20-18)17(22)11-15-9-10-21(12-15)25(23,24)13-14-5-2-1-3-6-14;19-15(16-17-7-9-22-16)10-14-6-8-18(11-14)23(20,21)12-13-4-2-1-3-5-13;19-16(15-10-22-12-17-15)8-14-6-7-18(9-14)23(20,21)11-13-4-2-1-3-5-13/h1-16H,(H,24,26);2-12H,13H2,1H3,(H,23,25);2-11,13H,12,14H2,1H3;1-11,13H,12H2;1-10,12H,11,13H2;1-9,11H,10,12H2;1-7,9-10,12H,8,11H2
• InChIKey: LCHSEUGNTQCHKY-UHFFFAOYSA-N
• XLogP: 22.79
• TPSA: 494.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 40
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2574.41
LogP ≤ 5	22.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?

The IUPAC name of 2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (CID 159309158) is 2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for 2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?

The canonical SMILES for 2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is CC(F)(F)c1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.Cc1cccc(C(=O)Cc2ccn(S(=O)(=O)Cc3ccccc3)c2)n1.O=C(Cc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1cccc(F)n1.O=C(Cc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1cscn1.O=C(Cc1ccn(S(=O)(=O)Cc2ccccc2)c1)c1nccs1.O=C(Cc1ccn(S(=O)(=O)c2ccccc2Cl)c1)c1ccccc1.O=C(Nc1ccn(S(=O)(=O)c2cccc(-c3ccccc3)c2)c1)c1ccccn1.

What is the InChIKey of 2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?

The InChIKey is LCHSEUGNTQCHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S.C19H17F2N3O3S.C19H18N2O3S.C18H14ClNO3S.C18H15FN2O3S.2C16H14N2O3S2/c26-22(21-11-4-5-13-23-21)24-19-12-14-25(16-19)29(27,28)20-10-6-9-18(15-20)17-7-2-1-3-8-17;1-19(20,21)15-6-4-5-14(11-15)13-28(26,27)24-10-8-16(12-24)23-18(25)17-7-2-3-9-22-17;1-15-6-5-9-18(20-15)19(22)12-17-10-11-21(13-17)25(23,24)14-16-7-3-2-4-8-16;19-16-8-4-5-9-18(16)24(22,23)20-11-10-14(13-20)12-17(21)15-6-2-1-3-7-15;19-18-8-4-7-16(20-18)17(22)11-15-9-10-21(12-15)25(23,24)13-14-5-2-1-3-6-14;19-15(16-17-7-9-22-16)10-14-6-8-18(11-14)23(20,21)12-13-4-2-1-3-5-13;19-16(15-10-22-12-17-15)8-14-6-7-18(9-14)23(20,21)11-13-4-2-1-3-5-13/h1-16H,(H,24,26);2-12H,13H2,1H3,(H,23,25);2-11,13H,12,14H2,1H3;1-11,13H,12H2;1-10,12H,11,13H2;1-9,11H,10,12H2;1-7,9-10,12H,8,11H2.

What are the key properties of 2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?

2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 2574.41 g/mol, XLogP of 22.79, 40 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-fluoro-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-2-yl)ethanone;2-(1-benzylsulfonylpyrrol-3-yl)-1-(1,3-thiazol-4-yl)ethanone;2-[1-(2-chlorophenyl)sulfonylpyrrol-3-yl]-1-phenylethanone;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(3-phenylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 159309158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).