5-sulfamoyl-1H-indazole-3-carboxylic acid

C8H7N3O4S — CID 119086499

IUPAC5-sulfamoyl-1H-indazole-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc2[nH]nc(C(=O)O)c2c1
InChIInChI=1S/C8H7N3O4S/c9-16(14,15)4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)(H2,9,14,15)
InChIKeyVLXOVQLYZQNSMS-UHFFFAOYSA-N
MW241.23 g/mol
LogP-0.09
Rot. Bonds2

About 5-sulfamoyl-1H-indazole-3-carboxylic acid

5-sulfamoyl-1H-indazole-3-carboxylic acid (PubChem CID 119086499) has the molecular formula C8H7N3O4S and a molecular weight of 241.23 g/mol. Its IUPAC name is 5-sulfamoyl-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-sulfamoyl-1H-indazole-3-carboxylic acid
PubChem CID119086499
Molecular FormulaC8H7N3O4S
Molecular Weight241.23 g/mol
Exact Mass241.02
IUPAC Name5-sulfamoyl-1H-indazole-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc2[nH]nc(C(=O)O)c2c1
InChIInChI=1S/C8H7N3O4S/c9-16(14,15)4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)(H2,9,14,15)
InChIKeyVLXOVQLYZQNSMS-UHFFFAOYSA-N
XLogP-0.09
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-sulfamoyl-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-sulfamoyl-1H-indazole-3-carboxylic acid (CID 119086499) is 5-sulfamoyl-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-sulfamoyl-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-sulfamoyl-1H-indazole-3-carboxylic acid is NS(=O)(=O)c1ccc2[nH]nc(C(=O)O)c2c1.
What is the InChIKey of 5-sulfamoyl-1H-indazole-3-carboxylic acid?
The InChIKey is VLXOVQLYZQNSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4S/c9-16(14,15)4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)(H2,9,14,15).
What are the key properties of 5-sulfamoyl-1H-indazole-3-carboxylic acid?
5-sulfamoyl-1H-indazole-3-carboxylic acid has a molecular weight of 241.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfamoyl-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 119086499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).