4-anilinonaphthalene-1-sulfonic acid

C16H13NO3S — CID 23333412

IUPAC4-anilinonaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1ccc(Nc2ccccc2)c2ccccc12
InChIInChI=1S/C16H13NO3S/c18-21(19,20)16-11-10-15(13-8-4-5-9-14(13)16)17-12-6-2-1-3-7-12/h1-11,17H,(H,18,19,20)
InChIKeyZSSXNYMMAYIRJZ-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.83
Rot. Bonds3

About 4-anilinonaphthalene-1-sulfonic acid

4-anilinonaphthalene-1-sulfonic acid (PubChem CID 23333412) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-anilinonaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name4-anilinonaphthalene-1-sulfonic acid
PubChem CID23333412
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name4-anilinonaphthalene-1-sulfonic acid
SMILESO=S(=O)(O)c1ccc(Nc2ccccc2)c2ccccc12
InChIInChI=1S/C16H13NO3S/c18-21(19,20)16-11-10-15(13-8-4-5-9-14(13)16)17-12-6-2-1-3-7-12/h1-11,17H,(H,18,19,20)
InChIKeyZSSXNYMMAYIRJZ-UHFFFAOYSA-N
XLogP3.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
sodium;5-anilino-4-hydroxynaphthalene-1-sulfonic acid;hydride
CID 173415601
4-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]naphthalene-1-sulfonic acid
CID 19897307
1-anilinonaphthalene-2-sulfonic acid
CID 14694055
4-(4-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid
CID 15258357
4,5-diamino-2-anilinobenzenesulfonic acid
CID 151889508
4-[[(Z)-3-hydroxybut-2-enoyl]amino]naphthalene-1-sulfonic acid
CID 54719018
4-(methylcarbamothioylamino)naphthalene-1-sulfonic acid
CID 59940230
N-phenylaniline;sulfuric acid
CID 11486
4-hydroxynaphthalene-1-sulfonic acid
CID 6791
magnesium 8-anilinonaphthalene-1-sulfonic acid
CID 23615490
(4-sulfonaphthalen-1-yl)azanium
CID 148683072

Frequently Asked Questions

What is the IUPAC name of 4-anilinonaphthalene-1-sulfonic acid?
The IUPAC name of 4-anilinonaphthalene-1-sulfonic acid (CID 23333412) is 4-anilinonaphthalene-1-sulfonic acid.
What is the SMILES notation for 4-anilinonaphthalene-1-sulfonic acid?
The canonical SMILES for 4-anilinonaphthalene-1-sulfonic acid is O=S(=O)(O)c1ccc(Nc2ccccc2)c2ccccc12.
What is the InChIKey of 4-anilinonaphthalene-1-sulfonic acid?
The InChIKey is ZSSXNYMMAYIRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c18-21(19,20)16-11-10-15(13-8-4-5-9-14(13)16)17-12-6-2-1-3-7-12/h1-11,17H,(H,18,19,20).
What are the key properties of 4-anilinonaphthalene-1-sulfonic acid?
4-anilinonaphthalene-1-sulfonic acid has a molecular weight of 299.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinonaphthalene-1-sulfonic acid is sourced from PubChem (CID 23333412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).