Chemical Components in the PDB

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SAN : Summary

Code

SAN

One-letter code

X

Molecule name

SULFANILAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-aminobenzenesulfonamide
OpenEye OEToolkits 1.5.0 4-aminobenzenesulfonamide

Formula

C6 H8 N2 O2 S

Formal charge

0

Molecular weight

172.205 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(c1ccc(N)cc1)N
SMILES CACTVS 3.341 Nc1ccc(cc1)[S](N)(=O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1N)S(=O)(=O)N
Canonical SMILES CACTVS 3.341 Nc1ccc(cc1)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1N)S(=O)(=O)N

IUPAC InChI

InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

IUPAC InChI key

FDDDEECHVMSUSB-UHFFFAOYSA-N
SAN

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned