Chemical Components in the PDB

pdbe.org/chem
spacer

FXA : Summary

Code

FXA

One-letter code

X

Molecule name

N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE

Synonyms

N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide

Systematic names

ProgramVersionName
ACDLabs 10.04 N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide
OpenEye OEToolkits 1.5.0 N-[2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl]-4-(2-oxopyridin-1-yl)benzamide

Formula

C23 H17 Cl N4 O4 S

Formal charge

0

Molecular weight

480.923 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc1ccc(nc1)NS(=O)(=O)c2ccccc2NC(=O)c3ccc(cc3)N4C=CC=CC4=O
SMILES CACTVS 3.341 Clc1ccc(N[S](=O)(=O)c2ccccc2NC(=O)c3ccc(cc3)N4C=CC=CC4=O)nc1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)NC(=O)c2ccc(cc2)N3C=CC=CC3=O)S(=O)(=O)Nc4ccc(cn4)Cl
Canonical SMILES CACTVS 3.341 Clc1ccc(N[S](=O)(=O)c2ccccc2NC(=O)c3ccc(cc3)N4C=CC=CC4=O)nc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)NC(=O)c2ccc(cc2)N3C=CC=CC3=O)S(=O)(=O)Nc4ccc(cn4)Cl

IUPAC InChI

InChI=1S/C23H17ClN4O4S/c24-17-10-13-21(25-15-17)27-33(31,32)20-6-2-1-5-19(20)26-23(30)16-8-11-18(12-9-16)28-14-4-3-7-22(28)29/h1-15H,(H,25,27)(H,26,30)

IUPAC InChI key

MIJGLXFQYBTIFY-UHFFFAOYSA-N
FXA

wwPDB Information

Atom count

50 (33 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-03-06

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned