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

C25H24F2N2O3S — CID 55509546

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

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (PubChem CID 55509546) has the molecular formula C25H24F2N2O3S and a molecular weight of 470.54 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.

Molecular Properties

• Compound Name: N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
• PubChem CID: 55509546
• Molecular Formula: C25H24F2N2O3S
• Molecular Weight: 470.54 g/mol
• Exact Mass: 470.15
• IUPAC Name: N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
• SMILES: CC(c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1
• InChI: InChI=1S/C25H24F2N2O3S/c1-16-13-19-7-4-5-10-24(19)29(16)33(31,32)21-9-6-8-20(14-21)25(30)28(3)17(2)18-11-12-22(26)23(27)15-18/h4-12,14-17H,13H2,1-3H3
• InChIKey: BYONZGIQAISYFG-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 57.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.54
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (CID 55509546) is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.

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

The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1.

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

The InChIKey is BYONZGIQAISYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O3S/c1-16-13-19-7-4-5-10-24(19)29(16)33(31,32)21-9-6-8-20(14-21)25(30)28(3)17(2)18-11-12-22(26)23(27)15-18/h4-12,14-17H,13H2,1-3H3.

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

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide has a molecular weight of 470.54 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is sourced from PubChem (CID 55509546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).