N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

C126H113Cl2F4N21O21S7 — CID 158207722

About N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 158207722) has the molecular formula C126H113Cl2F4N21O21S7 and a molecular weight of 2628.78 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
• PubChem CID: 158207722
• Molecular Formula: C126H113Cl2F4N21O21S7
• Molecular Weight: 2628.78 g/mol
• Exact Mass: 2625.58
• IUPAC Name: N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
• SMILES: CC(F)(F)c1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.Cc1ccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c(Cl)c1.Cc1ccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c(F)c1.Cc1ccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1C.Cc1ccccc1CS(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1.O=C(Nc1ccn(S(=O)(=O)Cc2ccccc2Cl)c1)c1ccccn1.O=C(Nc1ccn(S(=O)(=O)Cc2ccccc2F)c1)c1ccccn1
• InChI: InChI=1S/C19H17F2N3O3S.C19H19N3O3S.C18H16ClN3O3S.C18H16FN3O3S.C18H17N3O3S.C17H14ClN3O3S.C17H14FN3O3S/c1-19(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;1-14-6-7-16(11-15(14)2)13-26(24,25)22-10-8-17(12-22)21-19(23)18-5-3-4-9-20-18;2*1-13-5-6-14(16(19)10-13)12-26(24,25)22-9-7-15(11-22)21-18(23)17-4-2-3-8-20-17;1-14-6-2-3-7-15(14)13-25(23,24)21-11-9-16(12-21)20-18(22)17-8-4-5-10-19-17;2*18-15-6-2-1-5-13(15)12-25(23,24)21-10-8-14(11-21)20-17(22)16-7-3-4-9-19-16/h2-12H,13H2,1H3,(H,23,25);3-12H,13H2,1-2H3,(H,21,23);2*2-11H,12H2,1H3,(H,21,23);2-12H,13H2,1H3,(H,20,22);2*1-11H,12H2,(H,20,22)
• InChIKey: GBRSTICEQCFBBF-UHFFFAOYSA-N
• XLogP: 21.83
• TPSA: 567.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2628.78
LogP ≤ 5	21.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?

The IUPAC name of N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (CID 158207722) is N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is CC(F)(F)c1cccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c1.Cc1ccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c(Cl)c1.Cc1ccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c(F)c1.Cc1ccc(CS(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1C.Cc1ccccc1CS(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1.O=C(Nc1ccn(S(=O)(=O)Cc2ccccc2Cl)c1)c1ccccn1.O=C(Nc1ccn(S(=O)(=O)Cc2ccccc2F)c1)c1ccccn1.

What is the InChIKey of N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?

The InChIKey is GBRSTICEQCFBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3S.C19H19N3O3S.C18H16ClN3O3S.C18H16FN3O3S.C18H17N3O3S.C17H14ClN3O3S.C17H14FN3O3S/c1-19(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;1-14-6-7-16(11-15(14)2)13-26(24,25)22-10-8-17(12-22)21-19(23)18-5-3-4-9-20-18;2*1-13-5-6-14(16(19)10-13)12-26(24,25)22-9-7-15(11-22)21-18(23)17-4-2-3-8-20-17;1-14-6-2-3-7-15(14)13-25(23,24)21-11-9-16(12-21)20-18(22)17-8-4-5-10-19-17;2*18-15-6-2-1-5-13(15)12-25(23,24)21-10-8-14(11-21)20-17(22)16-7-3-4-9-19-16/h2-12H,13H2,1H3,(H,23,25);3-12H,13H2,1-2H3,(H,21,23);2*2-11H,12H2,1H3,(H,21,23);2-12H,13H2,1H3,(H,20,22);2*1-11H,12H2,(H,20,22).

What are the key properties of N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?

N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 2628.78 g/mol, XLogP of 21.83, 36 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-chloro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[[3-(1,1-difluoroethyl)phenyl]methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,4-dimethylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluoro-4-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(2-methylphenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158207722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).