1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide

C24H23FN4O3S — CID 58138893

IUPAC1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C24H23FN4O3S/c1-16(2)28-33(31,32)20-6-3-5-17(13-20)14-26-24(30)21-7-4-8-23-22(21)15-27-29(23)19-11-9-18(25)10-12-19/h3-13,15-16,28H,14H2,1-2H3,(H,26,30)
InChIKeyCDPYJMOGBHOQPC-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.78
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide

1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 58138893) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID58138893
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC Name1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C24H23FN4O3S/c1-16(2)28-33(31,32)20-6-3-5-17(13-20)14-26-24(30)21-7-4-8-23-22(21)15-27-29(23)19-11-9-18(25)10-12-19/h3-13,15-16,28H,14H2,1-2H3,(H,26,30)
InChIKeyCDPYJMOGBHOQPC-UHFFFAOYSA-N
XLogP3.78
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.78
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-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide (CID 58138893) is 1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide is CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is CDPYJMOGBHOQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-16(2)28-33(31,32)20-6-3-5-17(13-20)14-26-24(30)21-7-4-8-23-22(21)15-27-29(23)19-11-9-18(25)10-12-19/h3-13,15-16,28H,14H2,1-2H3,(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide?
1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 3.78, 7 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-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).