Marvin  11060622172D          

 11 11  0  0  0  0            999 V2000
    0.0000   -2.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1250    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    0.8250    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8 10  2  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <ID>
CHEBI:45373

> <NAME>
sulfanilamide

> <DEFINITION>
A sulfonamide in which the sulfamoyl functional group is attached to aniline at the 4-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45370; CHEBI:9333

> <SYNONYM>
sulphanilamide; SULFANILAMIDE; Sulfanilamide; sulfamine; Sulfamine; Streptocide; SA; Prontosil album; para-aminobenzenesulfonamide; p-aminobenzenesulfonamide; p-aminobenzenesulfamide; 4-azanylbenzenesulfonamide; 4-aminobenzene sulfonic acid amide

> <IUPAC_NAME>
4-aminobenzenesulfonamide

> <FORMULA>
C6H8N2O2S

> <MASS>
172.20600

> <MONOISOTOPIC_MASS>
172.03065

> <CHARGE>
0

> <SMILES>
Nc1ccc(cc1)S(N)(=O)=O

> <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

> <BEILSTEIN_REGISTRY_NUMBER>
511852

> <CAS_REGISTRY_NUMBER>
63-74-1

> <GMELIN_REGISTRY_NUMBER>
83068

> <REAXYS_REGISTRY_NUMBER>
511852

> <CHEMIDPLUS>
63-74-1

> <DRUGBANK_ACCESSION>
DB00259

> <KEGG_COMPOUND_ACCESSION>
C07458

> <KEGG_DRUG_ACCESSION>
D08543

> <LINCS_ACCESSION>
LSM-6524

> <NIST_CHEMISTRY_WEBBOOK>
63-74-1

> <PDBECHEM_ACCESSION>
SAN

> <WIKIPEDIA_ACCESSION>
Sulfanilamide

> <PUBMED_CITATION>
22214209; 22342371; 22974493; 23061287; 23065453; 23122138; 23294218; 23476893; 23561569; 2420897; 9639594

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