sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate

C90H90Cl6N14NaO15S5- — CID 159751819

About sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate

sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate (PubChem CID 159751819) has the molecular formula C90H90Cl6N14NaO15S5- and a molecular weight of 2003.84 g/mol. Its IUPAC name is sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate.

Molecular Properties

• Compound Name: sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate
• PubChem CID: 159751819
• Molecular Formula: C90H90Cl6N14NaO15S5-
• Molecular Weight: 2003.84 g/mol
• Exact Mass: 1999.33
• IUPAC Name: sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate
• SMILES: Cc1c(C(=O)CCl)c2ncc(CCS(N)(=O)=O)cc2n1-c1ccc(Cl)cc1.Cc1c(C(=O)CN2CCC(O)CC2)c2ncc(CCS(N)(=O)=O)cc2n1-c1ccc(Cl)cc1.Cc1cc2ncc(CCOCS(=O)[O-])cc2n1-c1ccc(Cl)cc1.Cc1cc2ncc(CCS(=O)(=O)[O-])cc2n1-c1ccc(Cl)cc1.Cc1cc2ncc(CCS(N)(=O)=O)cc2n1-c1ccc(Cl)cc1.[Na+]
• InChI: InChI=1S/C23H27ClN4O4S.C18H17Cl2N3O3S.C17H17ClN2O3S.C16H16ClN3O2S.C16H15ClN2O3S.Na/c1-15-22(21(30)14-27-9-6-19(29)7-10-27)23-20(28(15)18-4-2-17(24)3-5-18)12-16(13-26-23)8-11-33(25,31)32;1-11-17(16(24)9-19)18-15(23(11)14-4-2-13(20)3-5-14)8-12(10-22-18)6-7-27(21,25)26;1-12-8-16-17(20(12)15-4-2-14(18)3-5-15)9-13(10-19-16)6-7-23-11-24(21)22;1-11-8-15-16(20(11)14-4-2-13(17)3-5-14)9-12(10-19-15)6-7-23(18,21)22;1-11-8-15-16(19(11)14-4-2-13(17)3-5-14)9-12(10-18-15)6-7-23(20,21)22;/h2-5,12-13,19,29H,6-11,14H2,1H3,(H2,25,31,32);2-5,8,10H,6-7,9H2,1H3,(H2,21,25,26);2-5,8-10H,6-7,11H2,1H3,(H,21,22);2-5,8-10H,6-7H2,1H3,(H2,18,21,22);2-5,8-10H,6-7H2,1H3,(H,20,21,22);/q;;;;;+1/p-2
• InChIKey: LZYDGXOKHOSAMQ-UHFFFAOYSA-L
• XLogP: 11.98
• TPSA: 433.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2003.84
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate?

The IUPAC name of sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate (CID 159751819) is sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate.

What is the SMILES notation for sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate?

The canonical SMILES for sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate is Cc1c(C(=O)CCl)c2ncc(CCS(N)(=O)=O)cc2n1-c1ccc(Cl)cc1.Cc1c(C(=O)CN2CCC(O)CC2)c2ncc(CCS(N)(=O)=O)cc2n1-c1ccc(Cl)cc1.Cc1cc2ncc(CCOCS(=O)[O-])cc2n1-c1ccc(Cl)cc1.Cc1cc2ncc(CCS(=O)(=O)[O-])cc2n1-c1ccc(Cl)cc1.Cc1cc2ncc(CCS(N)(=O)=O)cc2n1-c1ccc(Cl)cc1.[Na+].

What is the InChIKey of sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate?

The InChIKey is LZYDGXOKHOSAMQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H27ClN4O4S.C18H17Cl2N3O3S.C17H17ClN2O3S.C16H16ClN3O2S.C16H15ClN2O3S.Na/c1-15-22(21(30)14-27-9-6-19(29)7-10-27)23-20(28(15)18-4-2-17(24)3-5-18)12-16(13-26-23)8-11-33(25,31)32;1-11-17(16(24)9-19)18-15(23(11)14-4-2-13(20)3-5-14)8-12(10-22-18)6-7-27(21,25)26;1-12-8-16-17(20(12)15-4-2-14(18)3-5-15)9-13(10-19-16)6-7-23-11-24(21)22;1-11-8-15-16(20(11)14-4-2-13(17)3-5-14)9-12(10-19-15)6-7-23(18,21)22;1-11-8-15-16(19(11)14-4-2-13(17)3-5-14)9-12(10-18-15)6-7-23(20,21)22;/h2-5,12-13,19,29H,6-11,14H2,1H3,(H2,25,31,32);2-5,8,10H,6-7,9H2,1H3,(H2,21,25,26);2-5,8-10H,6-7,11H2,1H3,(H,21,22);2-5,8-10H,6-7H2,1H3,(H2,18,21,22);2-5,8-10H,6-7H2,1H3,(H,20,21,22);/q;;;;;+1/p-2.

What are the key properties of sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate?

sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate has a molecular weight of 2003.84 g/mol, XLogP of 11.98, 27 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-3-[2-(4-hydroxypiperidin-1-yl)acetyl]-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonamide;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethanesulfonate;2-[1-(4-chlorophenyl)-2-methylpyrrolo[3,2-b]pyridin-6-yl]ethoxymethanesulfinate is sourced from PubChem (CID 159751819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).