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

C29H22ClF3N2O3S — CID 59943885

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

N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 59943885) has the molecular formula C29H22ClF3N2O3S and a molecular weight of 571.02 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 59943885
• Molecular Formula: C29H22ClF3N2O3S
• Molecular Weight: 571.02 g/mol
• Exact Mass: 570.10
• IUPAC Name: N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: O=C(Nc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C29H22ClF3N2O3S/c30-22-10-13-25(14-11-22)39(37,38)35-24-15-19-7-12-23(16-20(19)17-24)34-28(36)27-4-2-1-3-26(27)18-5-8-21(9-6-18)29(31,32)33/h1-14,16,24,35H,15,17H2,(H,34,36)
• InChIKey: PSLWDUGPEGJEMA-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 75.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.02
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 59943885) is N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide.

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

The canonical SMILES for N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1.

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

The InChIKey is PSLWDUGPEGJEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClF3N2O3S/c30-22-10-13-25(14-11-22)39(37,38)35-24-15-19-7-12-23(16-20(19)17-24)34-28(36)27-4-2-1-3-26(27)18-5-8-21(9-6-18)29(31,32)33/h1-14,16,24,35H,15,17H2,(H,34,36).

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

N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 571.02 g/mol, XLogP of 6.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 59943885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).