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

C₂₃H₂₁ClN₄O₅S — CID 156782494

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

7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide (PubChem CID 156782494) has the molecular formula C₂₃H₂₁ClN₄O₅S and a molecular weight of 500.96 g/mol. Its IUPAC name is 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide
• PubChem CID: 156782494
• Molecular Formula: C₂₃H₂₁ClN₄O₅S
• Molecular Weight: 500.96 g/mol
• Exact Mass: 500.09
• IUPAC Name: 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide
• SMILES: COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)n4)ccc(Cl)c3n2C)cc1
• InChI: InChI=1S/C23H21ClN4O5S/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)
• InChIKey: SHMFSJLZNDTUFZ-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 111.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.96
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide (CID 156782494) is 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide.

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

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

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

The InChIKey is SHMFSJLZNDTUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O5S/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).

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

7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide has a molecular weight of 500.96 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-N-(4-methoxyphenyl)sulfonyl-4-[(6-methoxy-2-pyridinyl)amino]-1-methylindole-2-carboxamide is sourced from PubChem (CID 156782494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156782494 — identifiers, structure, computed properties (public domain)

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