1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide

C17H16N6O3S — CID 5331014

IUPAC1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-n2[nH]c(C(N)=O)c3ccc4nncc4c32)cc1
InChIInChI=1S/C17H16N6O3S/c1-22(2)27(25,26)11-5-3-10(4-6-11)23-16-12(15(21-23)17(18)24)7-8-14-13(16)9-19-20-14/h3-9,21H,1-2H3,(H2,18,24)
InChIKeyAXWKAKFXALOXOA-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.25
Rot. Bonds4

About 1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide

1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide (PubChem CID 5331014) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide
PubChem CID5331014
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC Name1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-n2[nH]c(C(N)=O)c3ccc4nncc4c32)cc1
InChIInChI=1S/C17H16N6O3S/c1-22(2)27(25,26)11-5-3-10(4-6-11)23-16-12(15(21-23)17(18)24)7-8-14-13(16)9-19-20-14/h3-9,21H,1-2H3,(H2,18,24)
InChIKeyAXWKAKFXALOXOA-UHFFFAOYSA-N
XLogP1.25
TPSA126.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The IUPAC name of 1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide (CID 5331014) is 1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide is CN(C)S(=O)(=O)c1ccc(-n2[nH]c(C(N)=O)c3ccc4nncc4c32)cc1.
What is the InChIKey of 1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The InChIKey is AXWKAKFXALOXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c1-22(2)27(25,26)11-5-3-10(4-6-11)23-16-12(15(21-23)17(18)24)7-8-14-13(16)9-19-20-14/h3-9,21H,1-2H3,(H2,18,24).
What are the key properties of 1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide is sourced from PubChem (CID 5331014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).