carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide

C27H20Cl3F4IN6O4S2-2 — CID 159489469

About carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide

carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide (PubChem CID 159489469) has the molecular formula C27H20Cl3F4IN6O4S2-2 and a molecular weight of 865.88 g/mol. Its IUPAC name is carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide.

Molecular Properties

• Compound Name: carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide
• PubChem CID: 159489469
• Molecular Formula: C27H20Cl3F4IN6O4S2-2
• Molecular Weight: 865.88 g/mol
• Exact Mass: 863.90
• IUPAC Name: carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide
• SMILES: Nc1cc(F)cnc1F.O=S(=O)(Cl)c1c[nH]c2cc(Cl)ccc12.O=S(=O)(Nc1cc(F)cnc1F)c1c[nH]c2cc(Cl)ccc12.[CH3-].[I-]
• InChI: InChI=1S/C13H8ClF2N3O2S.C8H5Cl2NO2S.C5H4F2N2.CH3.HI/c14-7-1-2-9-10(3-7)17-6-12(9)22(20,21)19-11-4-8(15)5-18-13(11)16;9-5-1-2-6-7(3-5)11-4-8(6)14(10,12)13;6-3-1-4(8)5(7)9-2-3;;/h1-6,17,19H;1-4,11H;1-2H,8H2;1H3;1H/q;;;-1;/p-1
• InChIKey: HYYCKQIPFUXHIK-UHFFFAOYSA-M
• XLogP: 4.44
• TPSA: 163.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	865.88
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide?

The IUPAC name of carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide (CID 159489469) is carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide.

What is the SMILES notation for carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide?

The canonical SMILES for carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide is Nc1cc(F)cnc1F.O=S(=O)(Cl)c1c[nH]c2cc(Cl)ccc12.O=S(=O)(Nc1cc(F)cnc1F)c1c[nH]c2cc(Cl)ccc12.[CH3-].[I-].

What is the InChIKey of carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide?

The InChIKey is HYYCKQIPFUXHIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8ClF2N3O2S.C8H5Cl2NO2S.C5H4F2N2.CH3.HI/c14-7-1-2-9-10(3-7)17-6-12(9)22(20,21)19-11-4-8(15)5-18-13(11)16;9-5-1-2-6-7(3-5)11-4-8(6)14(10,12)13;6-3-1-4(8)5(7)9-2-3;;/h1-6,17,19H;1-4,11H;1-2H,8H2;1H3;1H/q;;;-1;/p-1.

What are the key properties of carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide?

carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide has a molecular weight of 865.88 g/mol, XLogP of 4.44, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide is sourced from PubChem (CID 159489469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).