1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide

C24H24FN5O3S — CID 58138782

IUPAC1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide
SMILESCNCCNS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H24FN5O3S/c1-26-13-14-29-34(32,33)20-11-5-17(6-12-20)15-27-24(31)21-3-2-4-23-22(21)16-28-30(23)19-9-7-18(25)8-10-19/h2-12,16,26,29H,13-15H2,1H3,(H,27,31)
InChIKeyFSDUFNDROVHKEK-UHFFFAOYSA-N
MW481.55 g/mol
LogP2.59
Rot. Bonds9

About 1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide

1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide (PubChem CID 58138782) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide
PubChem CID58138782
Molecular FormulaC24H24FN5O3S
Molecular Weight481.55 g/mol
Exact Mass481.16
IUPAC Name1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide
SMILESCNCCNS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H24FN5O3S/c1-26-13-14-29-34(32,33)20-11-5-17(6-12-20)15-27-24(31)21-3-2-4-23-22(21)16-28-30(23)19-9-7-18(25)8-10-19/h2-12,16,26,29H,13-15H2,1H3,(H,27,31)
InChIKeyFSDUFNDROVHKEK-UHFFFAOYSA-N
XLogP2.59
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide (CID 58138782) is 1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide is CNCCNS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide?
The InChIKey is FSDUFNDROVHKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c1-26-13-14-29-34(32,33)20-11-5-17(6-12-20)15-27-24(31)21-3-2-4-23-22(21)16-28-30(23)19-9-7-18(25)8-10-19/h2-12,16,26,29H,13-15H2,1H3,(H,27,31).
What are the key properties of 1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide?
1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 2.59, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[4-[2-(methylamino)ethylsulfamoyl]phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).