5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid

C19H15NO5S — CID 100820577

IUPAC5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)ccc1O
InChIInChI=1S/C19H15NO5S/c21-16-8-7-13(10-15(16)19(22)23)20-26(24,25)17-9-6-12-5-4-11-2-1-3-14(17)18(11)12/h1-3,6-10,20-21H,4-5H2,(H,22,23)
InChIKeyWKYNQYLDVAWUAZ-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.14
Rot. Bonds4

About 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid

5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid (PubChem CID 100820577) has the molecular formula C19H15NO5S and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid
PubChem CID100820577
Molecular FormulaC19H15NO5S
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC Name5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)ccc1O
InChIInChI=1S/C19H15NO5S/c21-16-8-7-13(10-15(16)19(22)23)20-26(24,25)17-9-6-12-5-4-11-2-1-3-14(17)18(11)12/h1-3,6-10,20-21H,4-5H2,(H,22,23)
InChIKeyWKYNQYLDVAWUAZ-UHFFFAOYSA-N
XLogP3.14
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.14
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 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid?
The IUPAC name of 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid (CID 100820577) is 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid is O=C(O)c1cc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)ccc1O.
What is the InChIKey of 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid?
The InChIKey is WKYNQYLDVAWUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5S/c21-16-8-7-13(10-15(16)19(22)23)20-26(24,25)17-9-6-12-5-4-11-2-1-3-14(17)18(11)12/h1-3,6-10,20-21H,4-5H2,(H,22,23).
What are the key properties of 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid?
5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid has a molecular weight of 369.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 100820577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).