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

C25H26FN3O3S — CID 24953163

IUPACN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C25H26FN3O3S/c1-3-15-33(30,31)28-18(2)25(19-7-5-4-6-8-19)32-23-13-14-24-20(16-23)17-27-29(24)22-11-9-21(26)10-12-22/h4-14,16-18,25,28H,3,15H2,1-2H3/t18-,25-/m0/s1
InChIKeyVWTPUVDVSMDQRO-BVZFJXPGSA-N
MW467.57 g/mol
LogP5.00
Rot. Bonds9

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

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-1-sulfonamide (PubChem CID 24953163) has the molecular formula C25H26FN3O3S and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-1-sulfonamide
PubChem CID24953163
Molecular FormulaC25H26FN3O3S
Molecular Weight467.57 g/mol
Exact Mass467.17
IUPAC NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C25H26FN3O3S/c1-3-15-33(30,31)28-18(2)25(19-7-5-4-6-8-19)32-23-13-14-24-20(16-23)17-27-29(24)22-11-9-21(26)10-12-22/h4-14,16-18,25,28H,3,15H2,1-2H3/t18-,25-/m0/s1
InChIKeyVWTPUVDVSMDQRO-BVZFJXPGSA-N
XLogP5.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.00
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]propane-1-sulfonamide?
The IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-1-sulfonamide (CID 24953163) is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@@H](C)[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]propane-1-sulfonamide?
The InChIKey is VWTPUVDVSMDQRO-BVZFJXPGSA-N. The full InChI is InChI=1S/C25H26FN3O3S/c1-3-15-33(30,31)28-18(2)25(19-7-5-4-6-8-19)32-23-13-14-24-20(16-23)17-27-29(24)22-11-9-21(26)10-12-22/h4-14,16-18,25,28H,3,15H2,1-2H3/t18-,25-/m0/s1.
What are the key properties of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-1-sulfonamide?
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-1-sulfonamide has a molecular weight of 467.57 g/mol, XLogP of 5.00, 9 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]propane-1-sulfonamide is sourced from PubChem (CID 24953163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).