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F6B : Summary

Code

F6B

One-letter code

X

Molecule name

N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide
OpenEye OEToolkits 1.7.6 N-[[2,6-bis(fluoranyl)phenyl]methyl]-4-sulfamoyl-benzamide

Formula

C14 H12 F2 N2 O3 S

Formal charge

0

Molecular weight

326.318 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cc(ccc1C(=O)NCc2c(cccc2F)F)S(N)(=O)=O
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2c(F)cccc2F
SMILES OpenEye OEToolkits 1.7.6 c1cc(c(c(c1)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2c(F)cccc2F
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(c(c(c1)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F

IUPAC InChI

InChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)

IUPAC InChI key

ZFNCKGXGCCDDFN-UHFFFAOYSA-N
F6B

wwPDB Information

Atom count

34 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-10-27

Last modified at

2018-04-18

Status

Released

Obsoleted

Not Assigned