5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine

C45H35Cl2F6IN8O7S2 — CID 158115082

About 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine

5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine (PubChem CID 158115082) has the molecular formula C45H35Cl2F6IN8O7S2 and a molecular weight of 1175.76 g/mol. Its IUPAC name is 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine.

Molecular Properties

• Compound Name: 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine
• PubChem CID: 158115082
• Molecular Formula: C45H35Cl2F6IN8O7S2
• Molecular Weight: 1175.76 g/mol
• Exact Mass: 1174.04
• IUPAC Name: 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine
• SMILES: CON(C)C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)cc1C(F)(F)F.Ic1ccnc2c1C=CC2
• InChI: InChI=1S/C21H14ClF3N4O3S.C16H15ClF3N3O4S.C8H6IN/c1-11-2-3-13(9-16(11)21(23,24)25)33(31,32)29-17-8-12(22)10-28-18(17)19(30)14-4-6-26-20-15(14)5-7-27-20;1-9-4-5-11(7-12(9)16(18,19)20)28(25,26)22-13-6-10(17)8-21-14(13)15(24)23(2)27-3;9-7-4-5-10-8-3-1-2-6(7)8/h2-10,29H,1H3,(H,26,27);4-8,22H,1-3H3;1-2,4-5H,3H2
• InChIKey: FQXBEJKSEXWEDN-UHFFFAOYSA-N
• XLogP: 10.72
• TPSA: 206.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1175.76
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine?

The IUPAC name of 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine (CID 158115082) is 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine.

What is the SMILES notation for 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine?

The canonical SMILES for 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine is CON(C)C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)cc1C(F)(F)F.Ic1ccnc2c1C=CC2.

What is the InChIKey of 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine?

The InChIKey is FQXBEJKSEXWEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O3S.C16H15ClF3N3O4S.C8H6IN/c1-11-2-3-13(9-16(11)21(23,24)25)33(31,32)29-17-8-12(22)10-28-18(17)19(30)14-4-6-26-20-15(14)5-7-27-20;1-9-4-5-11(7-12(9)16(18,19)20)28(25,26)22-13-6-10(17)8-21-14(13)15(24)23(2)27-3;9-7-4-5-10-8-3-1-2-6(7)8/h2-10,29H,1H3,(H,26,27);4-8,22H,1-3H3;1-2,4-5H,3H2.

What are the key properties of 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine?

5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine has a molecular weight of 1175.76 g/mol, XLogP of 10.72, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 158115082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).