N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

C27H25N3O6S2 — CID 4524829

About N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (PubChem CID 4524829) has the molecular formula C27H25N3O6S2 and a molecular weight of 551.65 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.

Molecular Properties

• Compound Name: N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
• PubChem CID: 4524829
• Molecular Formula: C27H25N3O6S2
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.12
• IUPAC Name: N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
• SMILES: CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1
• InChI: InChI=1S/C27H25N3O6S2/c1-19-16-20-6-2-3-10-26(20)30(19)38(34,35)25-9-4-7-21(17-25)27(31)29-22-11-13-24(14-12-22)37(32,33)28-18-23-8-5-15-36-23/h2-15,17,19,28H,16,18H2,1H3,(H,29,31)
• InChIKey: JLTXAHFWQBWVRH-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 125.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (CID 4524829) is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.

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

The canonical SMILES for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1.

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

The InChIKey is JLTXAHFWQBWVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O6S2/c1-19-16-20-6-2-3-10-26(20)30(19)38(34,35)25-9-4-7-21(17-25)27(31)29-22-11-13-24(14-12-22)37(32,33)28-18-23-8-5-15-36-23/h2-15,17,19,28H,16,18H2,1H3,(H,29,31).

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

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide has a molecular weight of 551.65 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is sourced from PubChem (CID 4524829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).