3,7-diaminonaphthalene-1-sulfonic acid

C10H10N2O3S — CID 18431403

IUPAC3,7-diaminonaphthalene-1-sulfonic acid
SMILESNc1cc(S(=O)(=O)O)c2cc(N)ccc2c1
InChIInChI=1S/C10H10N2O3S/c11-7-2-1-6-3-8(12)5-10(9(6)4-7)16(13,14)15/h1-5H,11-12H2,(H,13,14,15)
InChIKeyRKWKDLKDFWIJMD-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.25
Rot. Bonds1

About 3,7-diaminonaphthalene-1-sulfonic acid

3,7-diaminonaphthalene-1-sulfonic acid (PubChem CID 18431403) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 3,7-diaminonaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name3,7-diaminonaphthalene-1-sulfonic acid
PubChem CID18431403
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name3,7-diaminonaphthalene-1-sulfonic acid
SMILESNc1cc(S(=O)(=O)O)c2cc(N)ccc2c1
InChIInChI=1S/C10H10N2O3S/c11-7-2-1-6-3-8(12)5-10(9(6)4-7)16(13,14)15/h1-5H,11-12H2,(H,13,14,15)
InChIKeyRKWKDLKDFWIJMD-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

7-aminonaphthalene-1,3-disulfonic acid;tetrahydrate
CID 76962518
3,6-diaminonaphthalene-2-sulfonic acid
CID 87527347
7-amino-3-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid
CID 14670624
6-amino-4-(2-hydroxyethylsulfonyl)naphthalene-2-sulfonic acid
CID 19914129
7-aminonaphthalene-1,3,5-trisulfonic acid;benzene-1,4-diamine;4-methylaniline
CID 142009083
7-aminonaphthalene-1,3,5-trisulfonic acid;7-aminonaphthalene-1,3,6-trisulfonic acid
CID 88742909
5-amino-2-[2-(4-amino-2-sulfophenyl)ethyl]benzenesulfonic acid
CID 5134319
CID 87753732
CID 87753732
7-aminonaphthalene-1,3,5-trisulfonic acid;3-methylaniline
CID 159292475
2-aminobenzene-1,4-disulfonic acid;7-aminonaphthalene-1,3,5-trisulfonic acid
CID 88708500
4-amino-2-sulfanylbenzenesulfonic acid
CID 23287472
3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid
CID 162118407

Frequently Asked Questions

What is the IUPAC name of 3,7-diaminonaphthalene-1-sulfonic acid?
The IUPAC name of 3,7-diaminonaphthalene-1-sulfonic acid (CID 18431403) is 3,7-diaminonaphthalene-1-sulfonic acid.
What is the SMILES notation for 3,7-diaminonaphthalene-1-sulfonic acid?
The canonical SMILES for 3,7-diaminonaphthalene-1-sulfonic acid is Nc1cc(S(=O)(=O)O)c2cc(N)ccc2c1.
What is the InChIKey of 3,7-diaminonaphthalene-1-sulfonic acid?
The InChIKey is RKWKDLKDFWIJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c11-7-2-1-6-3-8(12)5-10(9(6)4-7)16(13,14)15/h1-5H,11-12H2,(H,13,14,15).
What are the key properties of 3,7-diaminonaphthalene-1-sulfonic acid?
3,7-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 3,7-diaminonaphthalene-1-sulfonic acid is sourced from PubChem (CID 18431403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).