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

C22H19FN4O3S — CID 58138841

IUPAC1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C22H19FN4O3S/c1-24-31(29,30)18-5-2-4-15(12-18)13-25-22(28)19-6-3-7-21-20(19)14-26-27(21)17-10-8-16(23)9-11-17/h2-12,14,24H,13H2,1H3,(H,25,28)
InChIKeyQBCYWHLSAHDGHB-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.00
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 58138841) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID58138841
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC Name1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C22H19FN4O3S/c1-24-31(29,30)18-5-2-4-15(12-18)13-25-22(28)19-6-3-7-21-20(19)14-26-27(21)17-10-8-16(23)9-11-17/h2-12,14,24H,13H2,1H3,(H,25,28)
InChIKeyQBCYWHLSAHDGHB-UHFFFAOYSA-N
XLogP3.00
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide (CID 58138841) is 1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is QBCYWHLSAHDGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-24-31(29,30)18-5-2-4-15(12-18)13-25-22(28)19-6-3-7-21-20(19)14-26-27(21)17-10-8-16(23)9-11-17/h2-12,14,24H,13H2,1H3,(H,25,28).
What are the key properties of 1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide?
1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).