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

C23H19F4N3O3S — CID 24953513

IUPAC1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C23H19F4N3O3S/c1-15(29-34(31,32)23(25,26)27)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-28-30(21)19-9-7-18(24)8-10-19/h2-15,22,29H,1H3/t15-,22-/m0/s1
InChIKeyAGZHSPUECLXTIN-NYHFZMIOSA-N
MW493.48 g/mol
LogP5.11
Rot. Bonds7

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

1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide (PubChem CID 24953513) has the molecular formula C23H19F4N3O3S and a molecular weight of 493.48 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide
PubChem CID24953513
Molecular FormulaC23H19F4N3O3S
Molecular Weight493.48 g/mol
Exact Mass493.11
IUPAC Name1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C23H19F4N3O3S/c1-15(29-34(31,32)23(25,26)27)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-28-30(21)19-9-7-18(24)8-10-19/h2-15,22,29H,1H3/t15-,22-/m0/s1
InChIKeyAGZHSPUECLXTIN-NYHFZMIOSA-N
XLogP5.11
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide (CID 24953513) is 1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide is C[C@H](NS(=O)(=O)C(F)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide?
The InChIKey is AGZHSPUECLXTIN-NYHFZMIOSA-N. The full InChI is InChI=1S/C23H19F4N3O3S/c1-15(29-34(31,32)23(25,26)27)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-28-30(21)19-9-7-18(24)8-10-19/h2-15,22,29H,1H3/t15-,22-/m0/s1.
What are the key properties of 1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide has a molecular weight of 493.48 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 24953513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).