N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide

C23H21FN4O3S — CID 58138852

IUPACN-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESCCNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN4O3S/c1-2-27-32(30,31)19-6-3-5-16(13-19)14-25-23(29)20-7-4-8-22-21(20)15-26-28(22)18-11-9-17(24)10-12-18/h3-13,15,27H,2,14H2,1H3,(H,25,29)
InChIKeyIJPJPHZALKUXSX-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.39
Rot. Bonds7

About N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide

N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (PubChem CID 58138852) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
PubChem CID58138852
Molecular FormulaC23H21FN4O3S
Molecular Weight452.51 g/mol
Exact Mass452.13
IUPAC NameN-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESCCNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN4O3S/c1-2-27-32(30,31)19-6-3-5-16(13-19)14-25-23(29)20-7-4-8-22-21(20)15-26-28(22)18-11-9-17(24)10-12-18/h3-13,15,27H,2,14H2,1H3,(H,25,29)
InChIKeyIJPJPHZALKUXSX-UHFFFAOYSA-N
XLogP3.39
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The IUPAC name of N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (CID 58138852) is N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.
What is the SMILES notation for N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The canonical SMILES for N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is CCNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1.
What is the InChIKey of N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The InChIKey is IJPJPHZALKUXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S/c1-2-27-32(30,31)19-6-3-5-16(13-19)14-25-23(29)20-7-4-8-22-21(20)15-26-28(22)18-11-9-17(24)10-12-18/h3-13,15,27H,2,14H2,1H3,(H,25,29).
What are the key properties of N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is sourced from PubChem (CID 58138852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).