2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid

C17H13NO5S — CID 962573

IUPAC2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1O
InChIInChI=1S/C17H13NO5S/c19-15-9-8-12(10-14(15)17(20)21)18-24(22,23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10,18-19H,(H,20,21)
InChIKeyXAABHYRVSYKXSV-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.04
Rot. Bonds4

About 2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid

2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid (PubChem CID 962573) has the molecular formula C17H13NO5S and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid
PubChem CID962573
Molecular FormulaC17H13NO5S
Molecular Weight343.36 g/mol
Exact Mass343.05
IUPAC Name2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1O
InChIInChI=1S/C17H13NO5S/c19-15-9-8-12(10-14(15)17(20)21)18-24(22,23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10,18-19H,(H,20,21)
InChIKeyXAABHYRVSYKXSV-UHFFFAOYSA-N
XLogP3.04
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(naphthalen-1-ylsulfonylamino)benzoic acid?
The IUPAC name of 2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid (CID 962573) is 2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid is O=C(O)c1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1O.
What is the InChIKey of 2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid?
The InChIKey is XAABHYRVSYKXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5S/c19-15-9-8-12(10-14(15)17(20)21)18-24(22,23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10,18-19H,(H,20,21).
What are the key properties of 2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid?
2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid has a molecular weight of 343.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(naphthalen-1-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 962573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).