2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid

C14H11N3O5S — CID 4848408

IUPAC2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)ccc1O
InChIInChI=1S/C14H11N3O5S/c18-13-4-3-10(6-11(13)14(19)20)23(21,22)17-9-2-1-8-7-15-16-12(8)5-9/h1-7,17-18H,(H,15,16)(H,19,20)
InChIKeyXXJITGHMBSVIGG-UHFFFAOYSA-N
MW333.33 g/mol
LogP1.77
Rot. Bonds4

About 2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid

2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid (PubChem CID 4848408) has the molecular formula C14H11N3O5S and a molecular weight of 333.33 g/mol. Its IUPAC name is 2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid
PubChem CID4848408
Molecular FormulaC14H11N3O5S
Molecular Weight333.33 g/mol
Exact Mass333.04
IUPAC Name2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)ccc1O
InChIInChI=1S/C14H11N3O5S/c18-13-4-3-10(6-11(13)14(19)20)23(21,22)17-9-2-1-8-7-15-16-12(8)5-9/h1-7,17-18H,(H,15,16)(H,19,20)
InChIKeyXXJITGHMBSVIGG-UHFFFAOYSA-N
XLogP1.77
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid (CID 4848408) is 2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid?
The InChIKey is XXJITGHMBSVIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5S/c18-13-4-3-10(6-11(13)14(19)20)23(21,22)17-9-2-1-8-7-15-16-12(8)5-9/h1-7,17-18H,(H,15,16)(H,19,20).
What are the key properties of 2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid?
2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid has a molecular weight of 333.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(1H-indazol-6-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 4848408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).