7,8-diaminonaphthalene-1-sulfonic acid

C10H10N2O3S — CID 82254374

IUPAC7,8-diaminonaphthalene-1-sulfonic acid
SMILESNc1ccc2cccc(S(=O)(=O)O)c2c1N
InChIInChI=1S/C10H10N2O3S/c11-7-5-4-6-2-1-3-8(16(13,14)15)9(6)10(7)12/h1-5H,11-12H2,(H,13,14,15)
InChIKeyLDJFMLORGOSAJP-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.25
Rot. Bonds1

About 7,8-diaminonaphthalene-1-sulfonic acid

7,8-diaminonaphthalene-1-sulfonic acid (PubChem CID 82254374) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 7,8-diaminonaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name7,8-diaminonaphthalene-1-sulfonic acid
PubChem CID82254374
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name7,8-diaminonaphthalene-1-sulfonic acid
SMILESNc1ccc2cccc(S(=O)(=O)O)c2c1N
InChIInChI=1S/C10H10N2O3S/c11-7-5-4-6-2-1-3-8(16(13,14)15)9(6)10(7)12/h1-5H,11-12H2,(H,13,14,15)
InChIKeyLDJFMLORGOSAJP-UHFFFAOYSA-N
XLogP1.25
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-aminonaphthalene-1,8-disulfonic acid
CID 101310221
7-amino-8-ethylsulfonylnaphthalene-1-sulfonic acid
CID 88611187
7-amino-8-ethylsulfonylnaphthalene-1-sulfonic acid;sulfuric acid
CID 88611186
8-aminonaphthalene-1,6,7-trisulfonic acid
CID 101310263
sodium 4-aminonaphthalene-1,5-disulfonic acid
CID 126465863
8-ethylnaphthalene-1-sulfonic acid
CID 101314983
8-hydroxy-7-nitrosonaphthalene-1-sulfonic acid
CID 23422680
8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
CID 148653145
7-[(2-amino-5-methylbenzoyl)amino]-8-hydroxynaphthalene-1-sulfonic acid
CID 57256664
4-amino-3-hydroxynaphthalene-1,5-disulfonic acid
CID 19768160
4-amino-5-chloronaphthalene-1-sulfonic acid
CID 130155184
3-amino-2-propan-2-ylbenzenesulfonic acid
CID 126686615

Frequently Asked Questions

What is the IUPAC name of 7,8-diaminonaphthalene-1-sulfonic acid?
The IUPAC name of 7,8-diaminonaphthalene-1-sulfonic acid (CID 82254374) is 7,8-diaminonaphthalene-1-sulfonic acid.
What is the SMILES notation for 7,8-diaminonaphthalene-1-sulfonic acid?
The canonical SMILES for 7,8-diaminonaphthalene-1-sulfonic acid is Nc1ccc2cccc(S(=O)(=O)O)c2c1N.
What is the InChIKey of 7,8-diaminonaphthalene-1-sulfonic acid?
The InChIKey is LDJFMLORGOSAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c11-7-5-4-6-2-1-3-8(16(13,14)15)9(6)10(7)12/h1-5H,11-12H2,(H,13,14,15).
What are the key properties of 7,8-diaminonaphthalene-1-sulfonic acid?
7,8-diaminonaphthalene-1-sulfonic acid has a molecular weight of 238.27 g/mol, XLogP of 1.25, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diaminonaphthalene-1-sulfonic acid is sourced from PubChem (CID 82254374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).