N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen

C₃₇H₄₁Cl₂F₂N₅O₇S — CID 158110892

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen

N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen (PubChem CID 158110892) has the molecular formula C₃₇H₄₁Cl₂F₂N₅O₇S and a molecular weight of 808.73 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen
• PubChem CID: 158110892
• Molecular Formula: C₃₇H₄₁Cl₂F₂N₅O₇S
• Molecular Weight: 808.73 g/mol
• Exact Mass: 807.21
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Cl)n2)c1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)O)c(Cl)n2)c1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C21H20ClFN4O4S.C16H15ClFNO3.3H2/c1-12(2)11-31-15-9-13(8-14(23)10-15)17-7-6-16(20(22)25-17)21(28)27-32(29,30)19-5-3-4-18(24)26-19;1-9(2)8-22-12-6-10(5-11(18)7-12)14-4-3-13(16(20)21)15(17)19-14;;;/h3-10,12H,11H2,1-2H3,(H2,24,26)(H,27,28);3-7,9H,8H2,1-2H3,(H,20,21);3*1H
• InChIKey: FQKMQJWSBVIGFD-UHFFFAOYSA-N
• XLogP: 8.68
• TPSA: 183.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.73
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen (CID 158110892) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Cl)n2)c1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)O)c(Cl)n2)c1.[H][H].[H][H].[H][H].

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen?

The InChIKey is FQKMQJWSBVIGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O4S.C16H15ClFNO3.3H2/c1-12(2)11-31-15-9-13(8-14(23)10-15)17-7-6-16(20(22)25-17)21(28)27-32(29,30)19-5-3-4-18(24)26-19;1-9(2)8-22-12-6-10(5-11(18)7-12)14-4-3-13(16(20)21)15(17)19-14;;;/h3-10,12H,11H2,1-2H3,(H2,24,26)(H,27,28);3-7,9H,8H2,1-2H3,(H,20,21);3*1H.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen?

N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen has a molecular weight of 808.73 g/mol, XLogP of 8.68, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;2-chloro-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylic acid;molecular hydrogen is sourced from PubChem (CID 158110892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158110892 — identifiers, structure, computed properties (public domain)

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