2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid

C16H12N2O5S — CID 975253

IUPAC2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1O
InChIInChI=1S/C16H12N2O5S/c19-13-7-6-11(9-12(13)16(20)21)18-24(22,23)14-5-1-3-10-4-2-8-17-15(10)14/h1-9,18-19H,(H,20,21)
InChIKeyGULLCDKBCKGXPI-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.44
Rot. Bonds4

About 2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid

2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid (PubChem CID 975253) has the molecular formula C16H12N2O5S and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid
PubChem CID975253
Molecular FormulaC16H12N2O5S
Molecular Weight344.35 g/mol
Exact Mass344.05
IUPAC Name2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1O
InChIInChI=1S/C16H12N2O5S/c19-13-7-6-11(9-12(13)16(20)21)18-24(22,23)14-5-1-3-10-4-2-8-17-15(10)14/h1-9,18-19H,(H,20,21)
InChIKeyGULLCDKBCKGXPI-UHFFFAOYSA-N
XLogP2.44
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid?
The IUPAC name of 2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid (CID 975253) is 2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid is O=C(O)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1O.
What is the InChIKey of 2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid?
The InChIKey is GULLCDKBCKGXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5S/c19-13-7-6-11(9-12(13)16(20)21)18-24(22,23)14-5-1-3-10-4-2-8-17-15(10)14/h1-9,18-19H,(H,20,21).
What are the key properties of 2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid?
2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid has a molecular weight of 344.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 975253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).