4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide

C22H22N6O4S — CID 71457592

IUPAC4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(=O)(=O)N(C)C)cc3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C22H22N6O4S/c1-14-11-24-21(12-23-14)25-22(29)15-9-19-18(13-28(4)26-19)20(10-15)32-16-5-7-17(8-6-16)33(30,31)27(2)3/h5-13H,1-4H3,(H,24,25,29)
InChIKeySGUBSBUVTZJSEK-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.97
Rot. Bonds6

About 4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide

4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (PubChem CID 71457592) has the molecular formula C22H22N6O4S and a molecular weight of 466.52 g/mol. Its IUPAC name is 4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
PubChem CID71457592
Molecular FormulaC22H22N6O4S
Molecular Weight466.52 g/mol
Exact Mass466.14
IUPAC Name4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(S(=O)(=O)N(C)C)cc3)c3cn(C)nc3c2)cn1
InChIInChI=1S/C22H22N6O4S/c1-14-11-24-21(12-23-14)25-22(29)15-9-19-18(13-28(4)26-19)20(10-15)32-16-5-7-17(8-6-16)33(30,31)27(2)3/h5-13H,1-4H3,(H,24,25,29)
InChIKeySGUBSBUVTZJSEK-UHFFFAOYSA-N
XLogP2.97
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The IUPAC name of 4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide (CID 71457592) is 4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide.
What is the SMILES notation for 4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The canonical SMILES for 4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3ccc(S(=O)(=O)N(C)C)cc3)c3cn(C)nc3c2)cn1.
What is the InChIKey of 4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
The InChIKey is SGUBSBUVTZJSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O4S/c1-14-11-24-21(12-23-14)25-22(29)15-9-19-18(13-28(4)26-19)20(10-15)32-16-5-7-17(8-6-16)33(30,31)27(2)3/h5-13H,1-4H3,(H,24,25,29).
What are the key properties of 4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide?
4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylsulfamoyl)phenoxy]-2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide is sourced from PubChem (CID 71457592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).