Chemical Components in the PDB

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VVG : Summary

Code

VVG

One-letter code

X

Molecule name

N-(2-fluorophenyl)ethanesulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(2-fluorophenyl)ethanesulfonamide
OpenEye OEToolkits 2.0.7 ~{N}-(2-fluorophenyl)ethanesulfonamide

Formula

C8 H10 F N O2 S

Formal charge

0

Molecular weight

203.234 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(c1ccccc1F)S(CC)(=O)=O
SMILES CACTVS 3.385 CC[S](=O)(=O)Nc1ccccc1F
SMILES OpenEye OEToolkits 2.0.7 CCS(=O)(=O)Nc1ccccc1F
Canonical SMILES CACTVS 3.385 CC[S](=O)(=O)Nc1ccccc1F
Canonical SMILES OpenEye OEToolkits 2.0.7 CCS(=O)(=O)Nc1ccccc1F

IUPAC InChI

InChI=1S/C8H10FNO2S/c1-2-13(11,12)10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3

IUPAC InChI key

MRTGYFRQZQCITC-UHFFFAOYSA-N
VVG

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-17

Last modified at

2020-09-25

Status

Released

Obsoleted

Not Assigned