N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide

C30H29N3O6S2 — CID 98391352

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide (PubChem CID 98391352) has the molecular formula C30H29N3O6S2 and a molecular weight of 591.71 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
• PubChem CID: 98391352
• Molecular Formula: C30H29N3O6S2
• Molecular Weight: 591.71 g/mol
• Exact Mass: 591.15
• IUPAC Name: N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
• SMILES: COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)ccc1C
• InChI: InChI=1S/C30H29N3O6S2/c1-20-15-16-24(19-29(20)40(35,36)32-26-12-5-7-14-28(26)39-3)31-30(34)23-10-8-11-25(18-23)41(37,38)33-21(2)17-22-9-4-6-13-27(22)33/h4-16,18-19,21,32H,17H2,1-3H3,(H,31,34)/t21-/m1/s1
• InChIKey: CPSKOSPIUIQMOY-OAQYLSRUSA-N
• XLogP: 5.20
• TPSA: 121.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.71
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?

The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide (CID 98391352) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide.

What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?

The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)ccc1C.

What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?

The InChIKey is CPSKOSPIUIQMOY-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H29N3O6S2/c1-20-15-16-24(19-29(20)40(35,36)32-26-12-5-7-14-28(26)39-3)31-30(34)23-10-8-11-25(18-23)41(37,38)33-21(2)17-22-9-4-6-13-27(22)33/h4-16,18-19,21,32H,17H2,1-3H3,(H,31,34)/t21-/m1/s1.

What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide has a molecular weight of 591.71 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide is sourced from PubChem (CID 98391352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).