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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Related Compounds

5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide
CID 166397295
N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide
CID 100820567
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
2-fluoro-5-[(4-phenylnaphthalen-1-yl)sulfonylamino]benzoic acid
CID 164623522
5-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 167824562
5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-2-hydroxybenzoic acid
CID 136557404
(2R)-2-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 100820557
2-hydroxy-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid
CID 5035463
2-[(3-oxo-2-thiatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl)sulfonylamino]benzoic acid
CID 7573740
1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid
CID 126480790
1-hydroxy-4-(naphthalen-2-ylsulfamoyl)naphthalene-2-carboxylic acid
CID 126480781
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide
CID 100820532

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).