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

C24H23FN4O3S — CID 58138864

IUPAC6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(S(=O)(=O)NC)cc2)c2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H23FN4O3S/c1-3-16-12-21(22-15-28-29(23(22)13-16)19-8-6-18(25)7-9-19)24(30)27-14-17-4-10-20(11-5-17)33(31,32)26-2/h4-13,15,26H,3,14H2,1-2H3,(H,27,30)
InChIKeyPIRWNJLBUSAIKU-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.57
Rot. Bonds7

About 6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide

6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 58138864) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is 6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID58138864
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC Name6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(S(=O)(=O)NC)cc2)c2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H23FN4O3S/c1-3-16-12-21(22-15-28-29(23(22)13-16)19-8-6-18(25)7-9-19)24(30)27-14-17-4-10-20(11-5-17)33(31,32)26-2/h4-13,15,26H,3,14H2,1-2H3,(H,27,30)
InChIKeyPIRWNJLBUSAIKU-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide (CID 58138864) is 6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide is CCc1cc(C(=O)NCc2ccc(S(=O)(=O)NC)cc2)c2cnn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is PIRWNJLBUSAIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-3-16-12-21(22-15-28-29(23(22)13-16)19-8-6-18(25)7-9-19)24(30)27-14-17-4-10-20(11-5-17)33(31,32)26-2/h4-13,15,26H,3,14H2,1-2H3,(H,27,30).
What are the key properties of 6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide?
6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).