N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H21F3N6O4S — CID 118172777

IUPACN-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)c1
InChIInChI=1S/C24H21F3N6O4S/c1-32(2)38(36,37)18-6-3-5-16(12-18)28-22(34)14-33-13-15-11-17(9-10-19(15)31-33)29-23(35)20-7-4-8-21(30-20)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,34)(H,29,35)
InChIKeyYMBXOINEZITINE-UHFFFAOYSA-N
MW546.53 g/mol
LogP3.59
Rot. Bonds7

About N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172777) has the molecular formula C24H21F3N6O4S and a molecular weight of 546.53 g/mol. Its IUPAC name is N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172777
Molecular FormulaC24H21F3N6O4S
Molecular Weight546.53 g/mol
Exact Mass546.13
IUPAC NameN-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)c1
InChIInChI=1S/C24H21F3N6O4S/c1-32(2)38(36,37)18-6-3-5-16(12-18)28-22(34)14-33-13-15-11-17(9-10-19(15)31-33)29-23(35)20-7-4-8-21(30-20)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,34)(H,29,35)
InChIKeyYMBXOINEZITINE-UHFFFAOYSA-N
XLogP3.59
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indazole-4-carboxamide
CID 44470374
N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935189
2-pyridin-2-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 68230705
US9951086, Example 30
CID 118172870
US9951086, Example 20
CID 118172933
US9951086, Example 28
CID 118172944
US9951086, Example 1
CID 118172966
US9951086, Example 87
CID 118173145
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431497
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431517
US10435396, Example 53
CID 137377455
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 118725462

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172777) is N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)c1.
What is the InChIKey of N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YMBXOINEZITINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O4S/c1-32(2)38(36,37)18-6-3-5-16(12-18)28-22(34)14-33-13-15-11-17(9-10-19(15)31-33)29-23(35)20-7-4-8-21(30-20)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,34)(H,29,35).
What are the key properties of N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 546.53 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).