Chemical Components in the PDB

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NBB : Summary

Code

NBB

One-letter code

X

Molecule name

N-BUTYL-BENZENESULFONAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-butylbenzenesulfonamide
OpenEye OEToolkits 1.5.0 N-butylbenzenesulfonamide

Formula

C10 H15 N O2 S

Formal charge

0

Molecular weight

213.297 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(NCCCC)c1ccccc1
SMILES CACTVS 3.341 CCCCN[S](=O)(=O)c1ccccc1
SMILES OpenEye OEToolkits 1.5.0 CCCCNS(=O)(=O)c1ccccc1
Canonical SMILES CACTVS 3.341 CCCCN[S](=O)(=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCNS(=O)(=O)c1ccccc1

IUPAC InChI

InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3

IUPAC InChI key

IPRJXAGUEGOFGG-UHFFFAOYSA-N
NBB

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-10-14

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned