Molecular properties
- Formula
- C6H8N2O2S
- Molar mass
- 172.21 g·mol−1
- Exact mass
- 172.0306 Da
- 4
- 2
- 4
- 94.60 Ų
- -0.6 (PubChem computed XLogP3-AA descriptor)
- CAS
- 63-74-1
- PubChem CID
- 5333
Molecule record
sulfanilamide
C6H8N2O2S
172.21 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alkene
Amine
Aromatic ring
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -0.6 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 4-Aminobenzene-1-Sulfonamide
- 4-Aminobenzenesulfonamide
- 4-Sulfamoylaniline
- 63-74-1
- Antistrept
- Astreptine
- Bacteramid
- Benzenesulfonamide, 4-amino-
Show all 23 synonyms
- Estreptocida
- Prontosil Album
- Prontosil I
- Prontylin
- Streptasol
- Streptocid
- Sulfamine
- Sulfonamide
- Sulfonamide P
- Sulfonylamide
- Sulphanilamide
- Sulphonamide
- p-Aminobenzenesulfamide
- p-Aminobenzenesulfonamide
- p-Sulfamoylaniline
Structure identifiers
- Canonical SMILES
- C1=CC(=CC=C1N)S(=O)(=O)N
- Isomeric SMILES
- C1=CC(=CC=C1N)S(=O)(=O)N
- InChI
- InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
- InChIKey
- FDDDEECHVMSUSB-UHFFFAOYSA-N
- PubChem CID
- 5333
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for sulfanilamide; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for sulfanilamide; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.