6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide

C20H16N2O5S — CID 135733675

IUPAC6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide
SMILESCc1c(O)cc(O)c2cc(S(=O)(=O)Nc3ccc(O)c4cccnc34)ccc12
InChIInChI=1S/C20H16N2O5S/c1-11-13-5-4-12(9-15(13)19(25)10-18(11)24)28(26,27)22-16-6-7-17(23)14-3-2-8-21-20(14)16/h2-10,22-25H,1H3
InChIKeyNZVHALOYKLMROF-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.61
Rot. Bonds3

About 6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide

6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide (PubChem CID 135733675) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is 6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound Name6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide
PubChem CID135733675
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC Name6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide
SMILESCc1c(O)cc(O)c2cc(S(=O)(=O)Nc3ccc(O)c4cccnc34)ccc12
InChIInChI=1S/C20H16N2O5S/c1-11-13-5-4-12(9-15(13)19(25)10-18(11)24)28(26,27)22-16-6-7-17(23)14-3-2-8-21-20(14)16/h2-10,22-25H,1H3
InChIKeyNZVHALOYKLMROF-UHFFFAOYSA-N
XLogP3.61
TPSA119.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide
CID 21022826
3-[(6,8-dihydroxy-5-methylnaphthalen-2-yl)sulfonylamino]benzenesulfonic acid
CID 21022709
4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide
CID 2318680
N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide
CID 1380885
3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79042553
5-hydroxy-8-[[4-[[4-[(4-hydroxy-7-sulfonaphthalen-1-yl)sulfamoyl]-2-methylphenyl]carbamoylamino]-3-methylphenyl]sulfonylamino]naphthalene-2-sulfonic acid
CID 88674287
N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
CID 169225092
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(8-methylquinolin-5-yl)benzamide
CID 38266314
5-[(8-carboxy-6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxylic acid
CID 21022811
5-chloro-8-(sulfamoylamino)quinoline
CID 112573673
8-hydroxy-6-methylquinoline-5-sulfonic acid
CID 21435774
2-methyl-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 79042866

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide?
The IUPAC name of 6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide (CID 135733675) is 6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for 6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide?
The canonical SMILES for 6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide is Cc1c(O)cc(O)c2cc(S(=O)(=O)Nc3ccc(O)c4cccnc34)ccc12.
What is the InChIKey of 6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide?
The InChIKey is NZVHALOYKLMROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c1-11-13-5-4-12(9-15(13)19(25)10-18(11)24)28(26,27)22-16-6-7-17(23)14-3-2-8-21-20(14)16/h2-10,22-25H,1H3.
What are the key properties of 6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide?
6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide has a molecular weight of 396.42 g/mol, XLogP of 3.61, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 135733675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).