N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide

C24H24FN3O3S — CID 91439728

IUPACN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(COc1ccc2c(cnn2-c2ccc(F)cc2)c1)Cc1ccccc1
InChIInChI=1S/C24H24FN3O3S/c1-2-32(29,30)27-21(14-18-6-4-3-5-7-18)17-31-23-12-13-24-19(15-23)16-26-28(24)22-10-8-20(25)9-11-22/h3-13,15-16,21,27H,2,14,17H2,1H3
InChIKeyGGNFIICSPYDHFU-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.09
Rot. Bonds9

About N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide

N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide (PubChem CID 91439728) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide
PubChem CID91439728
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(COc1ccc2c(cnn2-c2ccc(F)cc2)c1)Cc1ccccc1
InChIInChI=1S/C24H24FN3O3S/c1-2-32(29,30)27-21(14-18-6-4-3-5-7-18)17-31-23-12-13-24-19(15-23)16-26-28(24)22-10-8-20(25)9-11-22/h3-13,15-16,21,27H,2,14,17H2,1H3
InChIKeyGGNFIICSPYDHFU-UHFFFAOYSA-N
XLogP4.09
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide (CID 91439728) is N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide is CCS(=O)(=O)NC(COc1ccc2c(cnn2-c2ccc(F)cc2)c1)Cc1ccccc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide?
The InChIKey is GGNFIICSPYDHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c1-2-32(29,30)27-21(14-18-6-4-3-5-7-18)17-31-23-12-13-24-19(15-23)16-26-28(24)22-10-8-20(25)9-11-22/h3-13,15-16,21,27H,2,14,17H2,1H3.
What are the key properties of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide?
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide has a molecular weight of 453.54 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide is sourced from PubChem (CID 91439728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).