Chemical Components in the PDB

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MAJ : Summary

Code

MAJ

One-letter code

X

Molecule name

indane-5-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 10.04 2,3-dihydro-1H-indene-5-sulfonamide
OpenEye OEToolkits 1.5.0 2,3-dihydro-1H-indene-5-sulfonamide

Formula

C9 H11 N O2 S

Formal charge

0

Molecular weight

197.254 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(c1ccc2c(c1)CCC2)N
SMILES CACTVS 3.341 N[S](=O)(=O)c1ccc2CCCc2c1
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1S(=O)(=O)N)CCC2
Canonical SMILES CACTVS 3.341 N[S](=O)(=O)c1ccc2CCCc2c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1S(=O)(=O)N)CCC2

IUPAC InChI

InChI=1S/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12)

IUPAC InChI key

XVQJTFMKKZBBSX-UHFFFAOYSA-N
MAJ

wwPDB Information

Atom count

24 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-09-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned