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

C23H22FN3O3S — CID 91585554

IUPACN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC(COc1ccc2c(cnn2-c2ccc(F)cc2)c1)Cc1ccccc1
InChIInChI=1S/C23H22FN3O3S/c1-31(28,29)26-20(13-17-5-3-2-4-6-17)16-30-22-11-12-23-18(14-22)15-25-27(23)21-9-7-19(24)8-10-21/h2-12,14-15,20,26H,13,16H2,1H3
InChIKeyYXPSKCRBZOLAIC-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.70
Rot. Bonds8

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

N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]methanesulfonamide (PubChem CID 91585554) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]methanesulfonamide
PubChem CID91585554
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC NameN-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC(COc1ccc2c(cnn2-c2ccc(F)cc2)c1)Cc1ccccc1
InChIInChI=1S/C23H22FN3O3S/c1-31(28,29)26-20(13-17-5-3-2-4-6-17)16-30-22-11-12-23-18(14-22)15-25-27(23)21-9-7-19(24)8-10-21/h2-12,14-15,20,26H,13,16H2,1H3
InChIKeyYXPSKCRBZOLAIC-UHFFFAOYSA-N
XLogP3.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.70
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]methanesulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]methanesulfonamide (CID 91585554) is N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]methanesulfonamide is CS(=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]methanesulfonamide?
The InChIKey is YXPSKCRBZOLAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c1-31(28,29)26-20(13-17-5-3-2-4-6-17)16-30-22-11-12-23-18(14-22)15-25-27(23)21-9-7-19(24)8-10-21/h2-12,14-15,20,26H,13,16H2,1H3.
What are the key properties of N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]methanesulfonamide?
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]methanesulfonamide has a molecular weight of 439.51 g/mol, XLogP of 3.70, 8 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]methanesulfonamide is sourced from PubChem (CID 91585554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).