RZ5

N-pentyl-4-sulfamoylbenzamide

Created: 2011-05-16
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count36
Aromatic Bond Count6
2D diagram of RZ5

Chemical Component Summary

NameN-pentyl-4-sulfamoylbenzamide
Systematic Name (OpenEye OEToolkits)N-pentyl-4-sulfamoyl-benzamide
FormulaC12 H18 N2 O3 S
Molecular Weight270.348
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=S(=O)(N)c1ccc(C(=O)NCCCCC)cc1
SMILESCACTVS3.370CCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
SMILESOpenEye OEToolkits1.7.2CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N
Canonical SMILESCACTVS3.370 CCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
Canonical SMILESOpenEye OEToolkits1.7.2 CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N
InChIInChI1.03 InChI=1S/C12H18N2O3S/c1-2-3-4-9-14-12(15)10-5-7-11(8-6-10)18(13,16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyInChI1.03 KESWXTXQYSIIJQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 23274923
ChEMBL CHEMBL149507