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

C15H12N6O3S — CID 5331010

IUPAC1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESNC(=O)c1[nH]n(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1nncc12
InChIInChI=1S/C15H12N6O3S/c16-15(22)13-10-5-6-12-11(7-18-19-12)14(10)21(20-13)8-1-3-9(4-2-8)25(17,23)24/h1-7,20H,(H2,16,22)(H2,17,23,24)
InChIKeyBMHIIUZLKDDAPX-UHFFFAOYSA-N
MW356.37 g/mol
LogP0.65
Rot. Bonds3

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

1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide (PubChem CID 5331010) has the molecular formula C15H12N6O3S and a molecular weight of 356.37 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide
PubChem CID5331010
Molecular FormulaC15H12N6O3S
Molecular Weight356.37 g/mol
Exact Mass356.07
IUPAC Name1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESNC(=O)c1[nH]n(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1nncc12
InChIInChI=1S/C15H12N6O3S/c16-15(22)13-10-5-6-12-11(7-18-19-12)14(10)21(20-13)8-1-3-9(4-2-8)25(17,23)24/h1-7,20H,(H2,16,22)(H2,17,23,24)
InChIKeyBMHIIUZLKDDAPX-UHFFFAOYSA-N
XLogP0.65
TPSA149.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The IUPAC name of 1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide (CID 5331010) is 1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide is NC(=O)c1[nH]n(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1nncc12.
What is the InChIKey of 1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The InChIKey is BMHIIUZLKDDAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O3S/c16-15(22)13-10-5-6-12-11(7-18-19-12)14(10)21(20-13)8-1-3-9(4-2-8)25(17,23)24/h1-7,20H,(H2,16,22)(H2,17,23,24).
What are the key properties of 1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide is sourced from PubChem (CID 5331010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).