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

C16H14N6O3S — CID 5331012

IUPAC1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(-n2[nH]c(C(N)=O)c3ccc4nncc4c32)cc1
InChIInChI=1S/C16H14N6O3S/c1-18-26(24,25)10-4-2-9(3-5-10)22-15-11(14(21-22)16(17)23)6-7-13-12(15)8-19-20-13/h2-8,18,21H,1H3,(H2,17,23)
InChIKeyCZQSKDOIAPXQTF-UHFFFAOYSA-N
MW370.39 g/mol
LogP0.91
Rot. Bonds4

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

1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide (PubChem CID 5331012) has the molecular formula C16H14N6O3S and a molecular weight of 370.39 g/mol. Its IUPAC name is 1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide
PubChem CID5331012
Molecular FormulaC16H14N6O3S
Molecular Weight370.39 g/mol
Exact Mass370.08
IUPAC Name1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(-n2[nH]c(C(N)=O)c3ccc4nncc4c32)cc1
InChIInChI=1S/C16H14N6O3S/c1-18-26(24,25)10-4-2-9(3-5-10)22-15-11(14(21-22)16(17)23)6-7-13-12(15)8-19-20-13/h2-8,18,21H,1H3,(H2,17,23)
InChIKeyCZQSKDOIAPXQTF-UHFFFAOYSA-N
XLogP0.91
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The IUPAC name of 1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide (CID 5331012) is 1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide is CNS(=O)(=O)c1ccc(-n2[nH]c(C(N)=O)c3ccc4nncc4c32)cc1.
What is the InChIKey of 1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The InChIKey is CZQSKDOIAPXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3S/c1-18-26(24,25)10-4-2-9(3-5-10)22-15-11(14(21-22)16(17)23)6-7-13-12(15)8-19-20-13/h2-8,18,21H,1H3,(H2,17,23).
What are the key properties of 1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylsulfamoyl)phenyl]-2H-pyrazolo[3,4-e]indazole-3-carboxamide is sourced from PubChem (CID 5331012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).