2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide

C32H30F3N3O2S — CID 67199890

About 2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide

2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide (PubChem CID 67199890) has the molecular formula C32H30F3N3O2S and a molecular weight of 577.67 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide
• PubChem CID: 67199890
• Molecular Formula: C32H30F3N3O2S
• Molecular Weight: 577.67 g/mol
• Exact Mass: 577.20
• IUPAC Name: 2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide
• SMILES: C[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CN(CCc1ccccc1F)S(=O)(=O)c1ccccc1F)CC2
• InChI: InChI=1S/C32H30F3N3O2S/c1-21-27-19-36-38(26-14-12-25(33)13-15-26)30(27)18-23-10-11-24(32(21)23)20-37(17-16-22-6-2-3-7-28(22)34)41(39,40)31-9-5-4-8-29(31)35/h2-9,12-15,18-19,21,24,36H,10-11,16-17,20H2,1H3/t21-,24+/m0/s1
• InChIKey: OMCXDALJPJCLEM-XUZZJYLKSA-N
• XLogP: 6.49
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.67
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide?

The IUPAC name of 2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide (CID 67199890) is 2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide.

What is the SMILES notation for 2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide?

The canonical SMILES for 2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide is C[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CN(CCc1ccccc1F)S(=O)(=O)c1ccccc1F)CC2.

What is the InChIKey of 2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide?

The InChIKey is OMCXDALJPJCLEM-XUZZJYLKSA-N. The full InChI is InChI=1S/C32H30F3N3O2S/c1-21-27-19-36-38(26-14-12-25(33)13-15-26)30(27)18-23-10-11-24(32(21)23)20-37(17-16-22-6-2-3-7-28(22)34)41(39,40)31-9-5-4-8-29(31)35/h2-9,12-15,18-19,21,24,36H,10-11,16-17,20H2,1H3/t21-,24+/m0/s1.

What are the key properties of 2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide?

2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 577.67 g/mol, XLogP of 6.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[2-(2-fluorophenyl)ethyl]-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 67199890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).