1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide

C85H86BrN11O18S9 — CID 159541326

About 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide

1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (PubChem CID 159541326) has the molecular formula C85H86BrN11O18S9 and a molecular weight of 1918.19 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
• PubChem CID: 159541326
• Molecular Formula: C85H86BrN11O18S9
• Molecular Weight: 1918.19 g/mol
• Exact Mass: 1915.28
• IUPAC Name: 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
• SMILES: Cc1cc2c(-c3ccc(S(=O)(=O)N(C)C4CCS(=O)(=O)CC4)cc3)ccnc2[nH]1.Cc1cc2c(-c3ccc(S(=O)(=O)N(C)C4CCS(=O)(=O)CC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1.Cc1cc2c(-c3ccc(S(=O)(=O)NC4CCS(=O)(=O)CC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1.Cc1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C26H27N3O6S3.C25H25N3O6S3.C20H23N3O4S2.C14H11BrN2O2S/c1-19-18-25-24(12-15-27-26(25)29(19)38(34,35)22-6-4-3-5-7-22)20-8-10-23(11-9-20)37(32,33)28(2)21-13-16-36(30,31)17-14-21;1-18-17-24-23(11-14-26-25(24)28(18)37(33,34)22-5-3-2-4-6-22)19-7-9-21(10-8-19)36(31,32)27-20-12-15-35(29,30)16-13-20;1-14-13-19-18(7-10-21-20(19)22-14)15-3-5-17(6-4-15)29(26,27)23(2)16-8-11-28(24,25)12-9-16;1-10-9-12-13(15)7-8-16-14(12)17(10)20(18,19)11-5-3-2-4-6-11/h3-12,15,18,21H,13-14,16-17H2,1-2H3;2-11,14,17,20,27H,12-13,15-16H2,1H3;3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,21,22);2-9H,1H3
• InChIKey: MEGCXFUDGWBZQS-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 407.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.19
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?

The IUPAC name of 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (CID 159541326) is 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.

What is the SMILES notation for 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?

The canonical SMILES for 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is Cc1cc2c(-c3ccc(S(=O)(=O)N(C)C4CCS(=O)(=O)CC4)cc3)ccnc2[nH]1.Cc1cc2c(-c3ccc(S(=O)(=O)N(C)C4CCS(=O)(=O)CC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1.Cc1cc2c(-c3ccc(S(=O)(=O)NC4CCS(=O)(=O)CC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1.Cc1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1.

What is the InChIKey of 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?

The InChIKey is MEGCXFUDGWBZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6S3.C25H25N3O6S3.C20H23N3O4S2.C14H11BrN2O2S/c1-19-18-25-24(12-15-27-26(25)29(19)38(34,35)22-6-4-3-5-7-22)20-8-10-23(11-9-20)37(32,33)28(2)21-13-16-36(30,31)17-14-21;1-18-17-24-23(11-14-26-25(24)28(18)37(33,34)22-5-3-2-4-6-22)19-7-9-21(10-8-19)36(31,32)27-20-12-15-35(29,30)16-13-20;1-14-13-19-18(7-10-21-20(19)22-14)15-3-5-17(6-4-15)29(26,27)23(2)16-8-11-28(24,25)12-9-16;1-10-9-12-13(15)7-8-16-14(12)17(10)20(18,19)11-5-3-2-4-6-11/h3-12,15,18,21H,13-14,16-17H2,1-2H3;2-11,14,17,20,27H,12-13,15-16H2,1H3;3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,21,22);2-9H,1H3.

What are the key properties of 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?

1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide has a molecular weight of 1918.19 g/mol, XLogP of 12.63, 18 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)benzenesulfonamide;4-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-b]pyridin-4-yl]-N-(1,1-dioxothian-4-yl)-N-methylbenzenesulfonamide;N-(1,1-dioxothian-4-yl)-N-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is sourced from PubChem (CID 159541326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).