BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Sulfanilic Acid

Graphical representations:

sulfanilic acid image

Molecular Formula: C6 H7 N O3 S

Natural Isotopic Abundance Mass: 173.18968

Mono-Isotopic Molecular Masses:

  • C12N14: 173.0146637862
  • C13N14: 179.034792813
  • C12N15: 174.0116986794
  • C13N15: 180.0318277062

InCHi String: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)

canonical and isomeric SMILES: C1=CC(=CC=C1N)S(=O)(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
4-aminobenzenesulfonic acid

PUBCHEM iupac TRADITIONAL NAME
4-aminobesylic acid

PUBCHEM iupac SYSTEMATIC NAME
4-azanylbenzenesulfonic acid

PubChem Substance (SID):   111677857   24899644   8571
PubChem Compound (CID):   8479
KEGG: Compound ID   C06335
CAS Registry IDs:   121-57-3
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich S5263_SIGMA   ChEBI CHEBI:27500   EPA DSSTox 33845   NIST Chemistry WebBook 68279583   MMCD cq_03559   MDL MFCD00007886

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.