N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide

C26H24FN5O3S — CID 59786590

About N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 59786590) has the molecular formula C26H24FN5O3S and a molecular weight of 505.58 g/mol. Its IUPAC name is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide
• PubChem CID: 59786590
• Molecular Formula: C26H24FN5O3S
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.16
• IUPAC Name: N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide
• SMILES: C[C@H](NS(=O)(=O)c1cn(C)cn1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
• InChI: InChI=1S/C26H24FN5O3S/c1-18(30-36(33,34)25-16-31(2)17-28-25)26(19-6-4-3-5-7-19)35-23-12-13-24-20(14-23)15-29-32(24)22-10-8-21(27)9-11-22/h3-18,26,30H,1-2H3/t18-,26-/m0/s1
• InChIKey: AYEOCHZVHQUQQK-QYBDOPJKSA-N
• XLogP: 4.39
• TPSA: 91.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide?

The IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide (CID 59786590) is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide.

What is the SMILES notation for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide?

The canonical SMILES for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide is C[C@H](NS(=O)(=O)c1cn(C)cn1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1.

What is the InChIKey of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide?

The InChIKey is AYEOCHZVHQUQQK-QYBDOPJKSA-N. The full InChI is InChI=1S/C26H24FN5O3S/c1-18(30-36(33,34)25-16-31(2)17-28-25)26(19-6-4-3-5-7-19)35-23-12-13-24-20(14-23)15-29-32(24)22-10-8-21(27)9-11-22/h3-18,26,30H,1-2H3/t18-,26-/m0/s1.

What are the key properties of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide?

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 505.58 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 59786590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).