Chemical Components in the PDB

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6LH : Summary

Code

6LH

One-letter code

X

Molecule name

4-(aminomethyl)benzene-1-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-(aminomethyl)benzene-1-sulfonamide
OpenEye OEToolkits 2.0.4 4-(aminomethyl)benzenesulfonamide

Formula

C7 H10 N2 O2 S

Formal charge

0

Molecular weight

186.231 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 S(c1ccc(CN)cc1)(=O)(N)=O
SMILES CACTVS 3.385 NCc1ccc(cc1)[S](N)(=O)=O
SMILES OpenEye OEToolkits 2.0.4 c1cc(ccc1CN)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 NCc1ccc(cc1)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.4 c1cc(ccc1CN)S(=O)(=O)N

IUPAC InChI

InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)

IUPAC InChI key

TYMRLRRVMHJFTF-UHFFFAOYSA-N
6LH

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-05-02

Last modified at

2017-04-28

Status

Released

Obsoleted

Not Assigned