2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide

C21H26N6O6S2 — CID 135507566

About 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide

2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide (PubChem CID 135507566) has the molecular formula C21H26N6O6S2 and a molecular weight of 522.61 g/mol. Its IUPAC name is 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide.

Molecular Properties

• Compound Name: 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide
• PubChem CID: 135507566
• Molecular Formula: C21H26N6O6S2
• Molecular Weight: 522.61 g/mol
• Exact Mass: 522.14
• IUPAC Name: 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide
• SMILES: CN1CCN(S(=O)(=O)c2ccc(-c3c(O)[nH]c4ccc(C(=O)NCCS(N)(=O)=O)cc34)nc2)CC1
• InChI: InChI=1S/C21H26N6O6S2/c1-26-7-9-27(10-8-26)35(32,33)15-3-5-18(24-13-15)19-16-12-14(2-4-17(16)25-21(19)29)20(28)23-6-11-34(22,30)31/h2-5,12-13,25,29H,6-11H2,1H3,(H,23,28)(H2,22,30,31)
• InChIKey: PPJLCKQWJQMKOD-UHFFFAOYSA-N
• XLogP: -0.11
• TPSA: 178.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.61
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide?

The IUPAC name of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide (CID 135507566) is 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide.

What is the SMILES notation for 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide?

The canonical SMILES for 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide is CN1CCN(S(=O)(=O)c2ccc(-c3c(O)[nH]c4ccc(C(=O)NCCS(N)(=O)=O)cc34)nc2)CC1.

What is the InChIKey of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide?

The InChIKey is PPJLCKQWJQMKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O6S2/c1-26-7-9-27(10-8-26)35(32,33)15-3-5-18(24-13-15)19-16-12-14(2-4-17(16)25-21(19)29)20(28)23-6-11-34(22,30)31/h2-5,12-13,25,29H,6-11H2,1H3,(H,23,28)(H2,22,30,31).

What are the key properties of 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide?

2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide has a molecular weight of 522.61 g/mol, XLogP of -0.11, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-(2-sulfamoylethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 135507566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).