6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate

C35H35Cl2N7O6S2 — CID 161321963

About 6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate

6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate (PubChem CID 161321963) has the molecular formula C35H35Cl2N7O6S2 and a molecular weight of 784.75 g/mol. Its IUPAC name is 6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate.

Molecular Properties

• Compound Name: 6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
• PubChem CID: 161321963
• Molecular Formula: C35H35Cl2N7O6S2
• Molecular Weight: 784.75 g/mol
• Exact Mass: 783.15
• IUPAC Name: 6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
• SMILES: N#COc1c2c(cc3c1CCC3)CCC2.NS(=O)(=O)c1ccc(Cl)nn1.O=C(Cc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(Cl)nn1
• InChI: InChI=1S/C18H18ClN3O3S.C13H13NO.C4H4ClN3O2S/c19-16-7-8-18(21-20-16)26(24,25)22-17(23)10-15-13-5-1-3-11(13)9-12-4-2-6-14(12)15;14-8-15-13-11-5-1-3-9(11)7-10-4-2-6-12(10)13;5-3-1-2-4(8-7-3)11(6,9)10/h7-9H,1-6,10H2,(H,22,23);7H,1-6H2;1-2H,(H2,6,9,10)
• InChIKey: VKGLWIQMZBDNDV-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 207.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.75
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate?

The IUPAC name of 6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate (CID 161321963) is 6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate.

What is the SMILES notation for 6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate?

The canonical SMILES for 6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate is N#COc1c2c(cc3c1CCC3)CCC2.NS(=O)(=O)c1ccc(Cl)nn1.O=C(Cc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccc(Cl)nn1.

What is the InChIKey of 6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate?

The InChIKey is VKGLWIQMZBDNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S.C13H13NO.C4H4ClN3O2S/c19-16-7-8-18(21-20-16)26(24,25)22-17(23)10-15-13-5-1-3-11(13)9-12-4-2-6-14(12)15;14-8-15-13-11-5-1-3-9(11)7-10-4-2-6-12(10)13;5-3-1-2-4(8-7-3)11(6,9)10/h7-9H,1-6,10H2,(H,22,23);7H,1-6H2;1-2H,(H2,6,9,10).

What are the key properties of 6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate?

6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate has a molecular weight of 784.75 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloropyridazine-3-sulfonamide;N-(6-chloropyridazin-3-yl)sulfonyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate is sourced from PubChem (CID 161321963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).