2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2S)-2-hydroxypropyl]ethanesulfonamide

C23H27F4N3O3S — CID 67198950

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

2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2S)-2-hydroxypropyl]ethanesulfonamide (PubChem CID 67198950) has the molecular formula C23H27F4N3O3S and a molecular weight of 501.55 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2S)-2-hydroxypropyl]ethanesulfonamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2S)-2-hydroxypropyl]ethanesulfonamide
• PubChem CID: 67198950
• Molecular Formula: C23H27F4N3O3S
• Molecular Weight: 501.55 g/mol
• Exact Mass: 501.17
• IUPAC Name: 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2S)-2-hydroxypropyl]ethanesulfonamide
• SMILES: C[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CN(C[C@H](C)O)S(=O)(=O)CC(F)(F)F)CC2
• InChI: InChI=1S/C23H27F4N3O3S/c1-14(31)11-29(34(32,33)13-23(25,26)27)12-17-4-3-16-9-21-20(15(2)22(16)17)10-28-30(21)19-7-5-18(24)6-8-19/h5-10,14-15,17,28,31H,3-4,11-13H2,1-2H3/t14-,15-,17+/m0/s1
• InChIKey: LDGQOTSXPGVISL-YQQAZPJKSA-N
• XLogP: 3.85
• TPSA: 72.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.55
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2S)-2-hydroxypropyl]ethanesulfonamide (CID 67198950) is 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2S)-2-hydroxypropyl]ethanesulfonamide.

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

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

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

The InChIKey is LDGQOTSXPGVISL-YQQAZPJKSA-N. The full InChI is InChI=1S/C23H27F4N3O3S/c1-14(31)11-29(34(32,33)13-23(25,26)27)12-17-4-3-16-9-21-20(15(2)22(16)17)10-28-30(21)19-7-5-18(24)6-8-19/h5-10,14-15,17,28,31H,3-4,11-13H2,1-2H3/t14-,15-,17+/m0/s1.

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

2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2S)-2-hydroxypropyl]ethanesulfonamide has a molecular weight of 501.55 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-[(2S)-2-hydroxypropyl]ethanesulfonamide is sourced from PubChem (CID 67198950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).