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

C23H21FN4O3S — CID 58138880

IUPACN-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN4O3S/c1-27(2)32(30,31)19-12-6-16(7-13-19)14-25-23(29)20-4-3-5-22-21(20)15-26-28(22)18-10-8-17(24)9-11-18/h3-13,15H,14H2,1-2H3,(H,25,29)
InChIKeyMAVUMCVBJPRJSR-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.34
Rot. Bonds6

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

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (PubChem CID 58138880) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
PubChem CID58138880
Molecular FormulaC23H21FN4O3S
Molecular Weight452.51 g/mol
Exact Mass452.13
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN4O3S/c1-27(2)32(30,31)19-12-6-16(7-13-19)14-25-23(29)20-4-3-5-22-21(20)15-26-28(22)18-10-8-17(24)9-11-18/h3-13,15H,14H2,1-2H3,(H,25,29)
InChIKeyMAVUMCVBJPRJSR-UHFFFAOYSA-N
XLogP3.34
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (CID 58138880) is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The InChIKey is MAVUMCVBJPRJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S/c1-27(2)32(30,31)19-12-6-16(7-13-19)14-25-23(29)20-4-3-5-22-21(20)15-26-28(22)18-10-8-17(24)9-11-18/h3-13,15H,14H2,1-2H3,(H,25,29).
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is sourced from PubChem (CID 58138880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).