Sulfanilic acid

C6H7NO3S — CID 8479

IUPAC4-aminobenzenesulfonic acid
SMILESC1=CC(=CC=C1N)S(=O)(=O)O
InChIInChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
InChIKeyHVBSAKJJOYLTQU-UHFFFAOYSA-N
MW173.19 g/mol
LogP-0.60
Rot. Bonds1

About Sulfanilic acid

Sulfanilic acid (PubChem CID 8479) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is 4-aminobenzenesulfonic acid.

Molecular Properties

Compound NameSulfanilic acid
PubChem CID8479
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name4-aminobenzenesulfonic acid
SMILESC1=CC(=CC=C1N)S(=O)(=O)O
InChIInChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
InChIKeyHVBSAKJJOYLTQU-UHFFFAOYSA-N
XLogP-0.60
TPSA88.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity210

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze Sulfanilic 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

Sulfanilamide
CID 5333
Dapsone
CID 2955
Sulfaguanidine
CID 5324
Sulfacarbamide
CID 11033
Sodium sulfanilate
CID 23664644
2-Aminobenzenesulfonic acid
CID 6926
2-Aminobenzenesulfonamide
CID 72894
Benzenesulfonamide, 3-amino-
CID 7377
Sulfathiourea
CID 3000579
Sulfabenz
CID 31390
4-Nitrobenzenesulfonic acid
CID 8740
2,4-Diaminobenzenesulfonic acid
CID 66623

Frequently Asked Questions

What is the IUPAC name of Sulfanilic acid?
The IUPAC name of Sulfanilic acid (CID 8479) is 4-aminobenzenesulfonic acid.
What is the SMILES notation for Sulfanilic acid?
The canonical SMILES for Sulfanilic acid is C1=CC(=CC=C1N)S(=O)(=O)O.
What is the InChIKey of Sulfanilic acid?
The InChIKey is HVBSAKJJOYLTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10).
What are the key properties of Sulfanilic acid?
Sulfanilic acid has a molecular weight of 173.19 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Sulfanilic acid is sourced from PubChem (CID 8479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).