5-(dimethylamino)naphthalene-1-sulfonic acid

C12H13NO3S — CID 1792

IUPAC5-(dimethylamino)naphthalene-1-sulfonic acid
SMILESCN(C)c1cccc2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)
InChIKeyBBEQQKBWUHCIOU-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.15
Rot. Bonds2

About 5-(dimethylamino)naphthalene-1-sulfonic acid

5-(dimethylamino)naphthalene-1-sulfonic acid (PubChem CID 1792) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-(dimethylamino)naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name5-(dimethylamino)naphthalene-1-sulfonic acid
PubChem CID1792
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name5-(dimethylamino)naphthalene-1-sulfonic acid
SMILESCN(C)c1cccc2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)
InChIKeyBBEQQKBWUHCIOU-UHFFFAOYSA-N
XLogP2.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(dimethylamino)naphthalene-1-sulfonic acid 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

8-Anilino-1-naphthalenesulfonic acid
CID 1369
Laurent acid
CID 6793
1,6-Cleve's acid
CID 8408
Dansylamide
CID 65077
Monodansylcadaverine
CID 4247
4-Amino-1-naphthalenesulfonic acid
CID 6790
3-((Ethylphenylamino)methyl)benzenesulfonic acid
CID 66858
Cleve's acid
CID 8386
Dansyl chloride
CID 11801
Dansylhydrazine
CID 94442
Peri acid
CID 6722
Ammonium 1-anilinonaphthalene-8-sulfonate
CID 120066

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)naphthalene-1-sulfonic acid?
The IUPAC name of 5-(dimethylamino)naphthalene-1-sulfonic acid (CID 1792) is 5-(dimethylamino)naphthalene-1-sulfonic acid.
What is the SMILES notation for 5-(dimethylamino)naphthalene-1-sulfonic acid?
The canonical SMILES for 5-(dimethylamino)naphthalene-1-sulfonic acid is CN(C)c1cccc2c(S(=O)(=O)O)cccc12.
What is the InChIKey of 5-(dimethylamino)naphthalene-1-sulfonic acid?
The InChIKey is BBEQQKBWUHCIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16).
What are the key properties of 5-(dimethylamino)naphthalene-1-sulfonic acid?
5-(dimethylamino)naphthalene-1-sulfonic acid has a molecular weight of 251.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)naphthalene-1-sulfonic acid is sourced from PubChem (CID 1792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).