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

C24H22FN3O3S — CID 58138869

IUPACN-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESCCS(=O)(=O)Cc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN3O3S/c1-2-32(30,31)16-18-8-6-17(7-9-18)14-26-24(29)21-4-3-5-23-22(21)15-27-28(23)20-12-10-19(25)11-13-20/h3-13,15H,2,14,16H2,1H3,(H,26,29)
InChIKeyYKBAZHQWNMKCFQ-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.03
Rot. Bonds7

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

N-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (PubChem CID 58138869) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is N-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
PubChem CID58138869
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC NameN-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESCCS(=O)(=O)Cc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN3O3S/c1-2-32(30,31)16-18-8-6-17(7-9-18)14-26-24(29)21-4-3-5-23-22(21)15-27-28(23)20-12-10-19(25)11-13-20/h3-13,15H,2,14,16H2,1H3,(H,26,29)
InChIKeyYKBAZHQWNMKCFQ-UHFFFAOYSA-N
XLogP4.03
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
CID 10072401
1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide
CID 44468570
1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indazole-4-carboxamide
CID 44468708
1-(4-Fluoro-phenyl)-1H-indazole-4-carboxylic acid (6-methanesulfonyl-pyridin-3-ylmethyl)-amide
CID 44469804
N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 44469942
1-(4-fluorophenyl)-N-[[4-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 44470083
1-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indazole-4-carboxamide
CID 44470374
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138788
1-(4-Fluoro-phenyl)-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide
CID 58138789
1-(4-Fluorophenyl)-1H-indazole-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 58138826
1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138841
N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138852

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The IUPAC name of N-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (CID 58138869) is N-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.
What is the SMILES notation for N-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The canonical SMILES for N-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is CCS(=O)(=O)Cc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The InChIKey is YKBAZHQWNMKCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c1-2-32(30,31)16-18-8-6-17(7-9-18)14-26-24(29)21-4-3-5-23-22(21)15-27-28(23)20-12-10-19(25)11-13-20/h3-13,15H,2,14,16H2,1H3,(H,26,29).
What are the key properties of N-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
N-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylsulfonylmethyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is sourced from PubChem (CID 58138869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).