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

C23H21FN4O3S — CID 66917016

IUPAC1-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN4O3S/c1-25-32(30,31)15-17-7-5-16(6-8-17)13-26-23(29)20-3-2-4-22-21(20)14-27-28(22)19-11-9-18(24)10-12-19/h2-12,14,25H,13,15H2,1H3,(H,26,29)
InChIKeyRTURVQJPJXPOAD-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.14
Rot. Bonds7

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

1-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 66917016) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID66917016
Molecular FormulaC23H21FN4O3S
Molecular Weight452.51 g/mol
Exact Mass452.13
IUPAC Name1-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN4O3S/c1-25-32(30,31)15-17-7-5-16(6-8-17)13-26-23(29)20-3-2-4-22-21(20)14-27-28(22)19-11-9-18(24)10-12-19/h2-12,14,25H,13,15H2,1H3,(H,26,29)
InChIKeyRTURVQJPJXPOAD-UHFFFAOYSA-N
XLogP3.14
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.14
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-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide (CID 66917016) is 1-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is RTURVQJPJXPOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S/c1-25-32(30,31)15-17-7-5-16(6-8-17)13-26-23(29)20-3-2-4-22-21(20)14-27-28(22)19-11-9-18(24)10-12-19/h2-12,14,25H,13,15H2,1H3,(H,26,29).
What are the key properties of 1-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide?
1-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 3.14, 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-[[4-(methylsulfamoylmethyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 66917016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).