1,7-dihydroxy-3-(sulfinatoamino)naphthalene

C10H8NO4S- — CID 57134913

IUPAC1,7-dihydroxy-3-(sulfinatoamino)naphthalene
SMILESO=S([O-])Nc1cc(O)c2cc(O)ccc2c1
InChIInChI=1S/C10H9NO4S/c12-8-2-1-6-3-7(11-16(14)15)4-10(13)9(6)5-8/h1-5,11-13H,(H,14,15)/p-1
InChIKeyUHMSQJPJPFKWTQ-UHFFFAOYSA-M
MW238.24 g/mol
LogP1.46
Rot. Bonds2

About 1,7-dihydroxy-3-(sulfinatoamino)naphthalene

1,7-dihydroxy-3-(sulfinatoamino)naphthalene (PubChem CID 57134913) has the molecular formula C10H8NO4S- and a molecular weight of 238.24 g/mol. Its IUPAC name is 1,7-dihydroxy-3-(sulfinatoamino)naphthalene.

Molecular Properties

Compound Name1,7-dihydroxy-3-(sulfinatoamino)naphthalene
PubChem CID57134913
Molecular FormulaC10H8NO4S-
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name1,7-dihydroxy-3-(sulfinatoamino)naphthalene
SMILESO=S([O-])Nc1cc(O)c2cc(O)ccc2c1
InChIInChI=1S/C10H9NO4S/c12-8-2-1-6-3-7(11-16(14)15)4-10(13)9(6)5-8/h1-5,11-13H,(H,14,15)/p-1
InChIKeyUHMSQJPJPFKWTQ-UHFFFAOYSA-M
XLogP1.46
TPSA92.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 1,7-dihydroxy-3-(sulfinatoamino)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dihydroxynaphthalene-2-sulfonate
CID 19096570
3-aminonaphthalene-1,7-diol
CID 105435991
8-fluoro-6-(methylamino)naphthalen-2-ol
CID 69473206
dimethyl 3,7-dihydroxynaphthalene-1,2-dicarboxylate
CID 145325415
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
phenanthren-3-ol
CID 73057263
3,4-difluoronaphthalene-2,6-diol
CID 18457308
6-acetamido-4-hydroxynaphthalene-2-sulfinic acid
CID 57237886
3,7-dihydroxynaphthalene-1-carboxylic acid
CID 23130130
potassium 6-hydroxynaphthalene-2-sulfonate
CID 23677963
2-methylnaphthalene-1,3,7-triol
CID 159488157
7-hydroxy-1-N,3-N-diphenylnaphthalene-1,3-disulfonamide
CID 1376755

Frequently Asked Questions

What is the IUPAC name of 1,7-dihydroxy-3-(sulfinatoamino)naphthalene?
The IUPAC name of 1,7-dihydroxy-3-(sulfinatoamino)naphthalene (CID 57134913) is 1,7-dihydroxy-3-(sulfinatoamino)naphthalene.
What is the SMILES notation for 1,7-dihydroxy-3-(sulfinatoamino)naphthalene?
The canonical SMILES for 1,7-dihydroxy-3-(sulfinatoamino)naphthalene is O=S([O-])Nc1cc(O)c2cc(O)ccc2c1.
What is the InChIKey of 1,7-dihydroxy-3-(sulfinatoamino)naphthalene?
The InChIKey is UHMSQJPJPFKWTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO4S/c12-8-2-1-6-3-7(11-16(14)15)4-10(13)9(6)5-8/h1-5,11-13H,(H,14,15)/p-1.
What are the key properties of 1,7-dihydroxy-3-(sulfinatoamino)naphthalene?
1,7-dihydroxy-3-(sulfinatoamino)naphthalene has a molecular weight of 238.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydroxy-3-(sulfinatoamino)naphthalene is sourced from PubChem (CID 57134913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).