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

C25H24FN3O3S — CID 24953162

IUPACN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide
SMILESC[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C25H24FN3O3S/c1-17(28-33(30,31)23-12-13-23)25(18-5-3-2-4-6-18)32-22-11-14-24-19(15-22)16-27-29(24)21-9-7-20(26)8-10-21/h2-11,14-17,23,25,28H,12-13H2,1H3/t17-,25-/m0/s1
InChIKeyJZASNJOSLMESTC-GKVSMKOHSA-N
MW465.55 g/mol
LogP4.76
Rot. Bonds8

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

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide (PubChem CID 24953162) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide
PubChem CID24953162
Molecular FormulaC25H24FN3O3S
Molecular Weight465.55 g/mol
Exact Mass465.15
IUPAC NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide
SMILESC[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C25H24FN3O3S/c1-17(28-33(30,31)23-12-13-23)25(18-5-3-2-4-6-18)32-22-11-14-24-19(15-22)16-27-29(24)21-9-7-20(26)8-10-21/h2-11,14-17,23,25,28H,12-13H2,1H3/t17-,25-/m0/s1
InChIKeyJZASNJOSLMESTC-GKVSMKOHSA-N
XLogP4.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide (CID 24953162) is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide is C[C@H](NS(=O)(=O)C1CC1)[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]cyclopropanesulfonamide?
The InChIKey is JZASNJOSLMESTC-GKVSMKOHSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c1-17(28-33(30,31)23-12-13-23)25(18-5-3-2-4-6-18)32-22-11-14-24-19(15-22)16-27-29(24)21-9-7-20(26)8-10-21/h2-11,14-17,23,25,28H,12-13H2,1H3/t17-,25-/m0/s1.
What are the key properties of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide?
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide has a molecular weight of 465.55 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 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]cyclopropanesulfonamide is sourced from PubChem (CID 24953162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).