1-anilinonaphthalene-2-sulfonic acid

C16H13NO3S — CID 14694055

IUPAC1-anilinonaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2ccccc2c1Nc1ccccc1
InChIInChI=1S/C16H13NO3S/c18-21(19,20)15-11-10-12-6-4-5-9-14(12)16(15)17-13-7-2-1-3-8-13/h1-11,17H,(H,18,19,20)
InChIKeyYHPJVEVBHRHVGO-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.83
Rot. Bonds3

About 1-anilinonaphthalene-2-sulfonic acid

1-anilinonaphthalene-2-sulfonic acid (PubChem CID 14694055) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-anilinonaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name1-anilinonaphthalene-2-sulfonic acid
PubChem CID14694055
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name1-anilinonaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2ccccc2c1Nc1ccccc1
InChIInChI=1S/C16H13NO3S/c18-21(19,20)15-11-10-12-6-4-5-9-14(12)16(15)17-13-7-2-1-3-8-13/h1-11,17H,(H,18,19,20)
InChIKeyYHPJVEVBHRHVGO-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-(3-anilino-4-methylanilino)naphthalene-2-sulfonic acid
CID 175269203
1-(4-hydroxy-2-sulfoanilino)naphthalene-2-sulfonic acid
CID 87973150
4-anilinonaphthalene-1-sulfonic acid
CID 23333412
1-(1-anilinonaphthalen-2-yl)ethanone
CID 12580778
1-anilino-9,10-dioxoanthracene-2-sulfonic acid
CID 20523512
1-chloronaphthalene-2-sulfonic acid
CID 14389107
acetic acid;naphthalene-1,2-disulfonic acid
CID 162339249
1-[(2-amino-4-hydroxyphenyl)sulfonylamino]naphthalene-2-sulfonic acid
CID 88674166
naphthalene-1-sulfonic acid
CID 158712346
1-benzylnaphthalene-2-sulfonic acid
CID 20531531
4-anilino-5-bromopyridine-3-sulfonic acid
CID 102538943
CID 175114374
CID 175114374

Frequently Asked Questions

What is the IUPAC name of 1-anilinonaphthalene-2-sulfonic acid?
The IUPAC name of 1-anilinonaphthalene-2-sulfonic acid (CID 14694055) is 1-anilinonaphthalene-2-sulfonic acid.
What is the SMILES notation for 1-anilinonaphthalene-2-sulfonic acid?
The canonical SMILES for 1-anilinonaphthalene-2-sulfonic acid is O=S(=O)(O)c1ccc2ccccc2c1Nc1ccccc1.
What is the InChIKey of 1-anilinonaphthalene-2-sulfonic acid?
The InChIKey is YHPJVEVBHRHVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c18-21(19,20)15-11-10-12-6-4-5-9-14(12)16(15)17-13-7-2-1-3-8-13/h1-11,17H,(H,18,19,20).
What are the key properties of 1-anilinonaphthalene-2-sulfonic acid?
1-anilinonaphthalene-2-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 1-anilinonaphthalene-2-sulfonic acid is sourced from PubChem (CID 14694055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).