N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide

C30H24F4N2O3S — CID 59943905

About N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide

N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 59943905) has the molecular formula C30H24F4N2O3S and a molecular weight of 568.59 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 59943905
• Molecular Formula: C30H24F4N2O3S
• Molecular Weight: 568.59 g/mol
• Exact Mass: 568.14
• IUPAC Name: N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2ccc(F)cc2)C3)c1-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C30H24F4N2O3S/c1-18-3-2-4-27(28(18)19-5-8-22(9-6-19)30(32,33)34)29(37)35-24-12-7-20-15-25(17-21(20)16-24)36-40(38,39)26-13-10-23(31)11-14-26/h2-14,16,25,36H,15,17H2,1H3,(H,35,37)
• InChIKey: GPESGXRAOPJGGD-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 75.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.59
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide (CID 59943905) is N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2ccc(F)cc2)C3)c1-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?

The InChIKey is GPESGXRAOPJGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F4N2O3S/c1-18-3-2-4-27(28(18)19-5-8-22(9-6-19)30(32,33)34)29(37)35-24-12-7-20-15-25(17-21(20)16-24)36-40(38,39)26-13-10-23(31)11-14-26/h2-14,16,25,36H,15,17H2,1H3,(H,35,37).

What are the key properties of N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?

N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 568.59 g/mol, XLogP of 6.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 59943905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).