2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide

C22H19F2N5O3S — CID 501343

IUPAC2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide
SMILESNS(=O)(=O)c1ccc(CCNc2cc(C(=O)Nc3ccc4cn[nH]c4c3)c(F)cc2F)cc1
InChIInChI=1S/C22H19F2N5O3S/c23-18-11-19(24)21(26-8-7-13-1-5-16(6-2-13)33(25,31)32)10-17(18)22(30)28-15-4-3-14-12-27-29-20(14)9-15/h1-6,9-12,26H,7-8H2,(H,27,29)(H,28,30)(H2,25,31,32)
InChIKeyFQKRQSUUUFUPPA-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.40
Rot. Bonds7

About 2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide

2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide (PubChem CID 501343) has the molecular formula C22H19F2N5O3S and a molecular weight of 471.49 g/mol. Its IUPAC name is 2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide
PubChem CID501343
Molecular FormulaC22H19F2N5O3S
Molecular Weight471.49 g/mol
Exact Mass471.12
IUPAC Name2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide
SMILESNS(=O)(=O)c1ccc(CCNc2cc(C(=O)Nc3ccc4cn[nH]c4c3)c(F)cc2F)cc1
InChIInChI=1S/C22H19F2N5O3S/c23-18-11-19(24)21(26-8-7-13-1-5-16(6-2-13)33(25,31)32)10-17(18)22(30)28-15-4-3-14-12-27-29-20(14)9-15/h1-6,9-12,26H,7-8H2,(H,27,29)(H,28,30)(H2,25,31,32)
InChIKeyFQKRQSUUUFUPPA-UHFFFAOYSA-N
XLogP3.40
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide
CID 44528589
1-(4-Fluoro-phenyl)-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide
CID 58138789
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
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138880
1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138893
N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67457022

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide?
The IUPAC name of 2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide (CID 501343) is 2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide.
What is the SMILES notation for 2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide?
The canonical SMILES for 2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide is NS(=O)(=O)c1ccc(CCNc2cc(C(=O)Nc3ccc4cn[nH]c4c3)c(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide?
The InChIKey is FQKRQSUUUFUPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O3S/c23-18-11-19(24)21(26-8-7-13-1-5-16(6-2-13)33(25,31)32)10-17(18)22(30)28-15-4-3-14-12-27-29-20(14)9-15/h1-6,9-12,26H,7-8H2,(H,27,29)(H,28,30)(H2,25,31,32).
What are the key properties of 2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide?
2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide has a molecular weight of 471.49 g/mol, XLogP of 3.40, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide is sourced from PubChem (CID 501343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).