N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide

C32H29F4N3O3S — CID 24965160

About N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide

N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide (PubChem CID 24965160) has the molecular formula C32H29F4N3O3S and a molecular weight of 611.66 g/mol. Its IUPAC name is N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

• Compound Name: N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide
• PubChem CID: 24965160
• Molecular Formula: C32H29F4N3O3S
• Molecular Weight: 611.66 g/mol
• Exact Mass: 611.19
• IUPAC Name: N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide
• SMILES: C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1cccc(F)c1CNS(=O)(=O)c1ccc(F)cc1F
• InChI: InChI=1S/C32H29F4N3O3S/c1-31-17-21-18-37-39(25-8-5-23(33)6-9-25)29(21)15-22(31)12-14-32(31,40)13-11-20-3-2-4-27(35)26(20)19-38-43(41,42)30-10-7-24(34)16-28(30)36/h2-10,15-16,18,38,40H,11-14,17,19H2,1H3/t31-,32-/m0/s1
• InChIKey: FJXUQUORHRZOEH-ACHIHNKUSA-N
• XLogP: 6.01
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.66
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide?

The IUPAC name of N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide (CID 24965160) is N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide.

What is the SMILES notation for N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide?

The canonical SMILES for N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide is C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1cccc(F)c1CNS(=O)(=O)c1ccc(F)cc1F.

What is the InChIKey of N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide?

The InChIKey is FJXUQUORHRZOEH-ACHIHNKUSA-N. The full InChI is InChI=1S/C32H29F4N3O3S/c1-31-17-21-18-37-39(25-8-5-23(33)6-9-25)29(21)15-22(31)12-14-32(31,40)13-11-20-3-2-4-27(35)26(20)19-38-43(41,42)30-10-7-24(34)16-28(30)36/h2-10,15-16,18,38,40H,11-14,17,19H2,1H3/t31-,32-/m0/s1.

What are the key properties of N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide?

N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 611.66 g/mol, XLogP of 6.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-6-fluorophenyl]methyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 24965160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).