Sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride

C₂₃H₂₂ClN₄NaO₅S — CID 175590369

About Sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride

Sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride (PubChem CID 175590369) has the molecular formula C₂₃H₂₂ClN₄NaO₅S and a molecular weight of 524.96 g/mol. Its IUPAC name is sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride.

Molecular Properties

• Compound Name: Sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride
• PubChem CID: 175590369
• Molecular Formula: C₂₃H₂₂ClN₄NaO₅S
• Molecular Weight: 524.96 g/mol
• Exact Mass: 524.09
• IUPAC Name: sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride
• SMILES: COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)n4)ccc(Cl)c3n2C)cc1.[H-].[Na+]
• InChI: InChI=1S/C23H21ClN4O5S.Na.H/c1-28-19(23(29)27-34(30,31)15-9-7-14(32-2)8-10-15)13-16-18(12-11-17(24)22(16)28)25-20-5-4-6-21(26-20)33-3;;/h4-13H,1-3H3,(H,25,26)(H,27,29);;/q;+1;-1
• InChIKey: GMWAQTJUEYWAAA-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 111.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.96
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of Sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride?

The IUPAC name of Sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride (CID 175590369) is sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride.

What is the SMILES notation for Sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride?

The canonical SMILES for Sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride is COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)n4)ccc(Cl)c3n2C)cc1.[H-].[Na+].

What is the InChIKey of Sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride?

The InChIKey is GMWAQTJUEYWAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O5S.Na.H/c1-28-19(23(29)27-34(30,31)15-9-7-14(32-2)8-10-15)13-16-18(12-11-17(24)22(16)28)25-20-5-4-6-21(26-20)33-3;;/h4-13H,1-3H3,(H,25,26)(H,27,29);;/q;+1;-1.

What are the key properties of Sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride?

Sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride has a molecular weight of 524.96 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Sodium;7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide;hydride is sourced from PubChem (CID 175590369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175590369 — identifiers, structure, computed properties (public domain)

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