3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

C26H24N4O3S — CID 55697733

About 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (PubChem CID 55697733) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
• PubChem CID: 55697733
• Molecular Formula: C26H24N4O3S
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.16
• IUPAC Name: 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
• SMILES: CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccc(-n3cccn3)cc2)c1
• InChI: InChI=1S/C26H24N4O3S/c1-19-16-21-6-2-3-9-25(21)30(19)34(32,33)24-8-4-7-22(17-24)26(31)27-18-20-10-12-23(13-11-20)29-15-5-14-28-29/h2-15,17,19H,16,18H2,1H3,(H,27,31)
• InChIKey: ZIENKGFTTOGWDR-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?

The IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (CID 55697733) is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.

What is the SMILES notation for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?

The canonical SMILES for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccc(-n3cccn3)cc2)c1.

What is the InChIKey of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?

The InChIKey is ZIENKGFTTOGWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-19-16-21-6-2-3-9-25(21)30(19)34(32,33)24-8-4-7-22(17-24)26(31)27-18-20-10-12-23(13-11-20)29-15-5-14-28-29/h2-15,17,19H,16,18H2,1H3,(H,27,31).

What are the key properties of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?

3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide has a molecular weight of 472.57 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55697733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).