67P

N-({4-[2-(benzenecarbonyl)hydrazinecarbonyl]phenyl}methyl)-3-chloro-4-fluorobenzene-1-sulfonamide

Created: 2016-02-15
Last modified:  2016-09-07

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count50
Aromatic Bond Count18
2D diagram of 67P
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Chemical Component Summary

NameN-({4-[2-(benzenecarbonyl)hydrazinecarbonyl]phenyl}methyl)-3-chloro-4-fluorobenzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)~{N}-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-chloranyl-4-fluoranyl-benzenesulfonamide
FormulaC21 H17 Cl F N3 O4 S
Molecular Weight461.894
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(c3cc(c(cc3)F)Cl)(=O)=O
SMILESCACTVS3.385Fc1ccc(cc1Cl)[S](=O)(=O)NCc2ccc(cc2)C(=O)NNC(=O)c3ccccc3
SMILESOpenEye OEToolkits2.0.4c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)Cl)F
Canonical SMILESCACTVS3.385 Fc1ccc(cc1Cl)[S](=O)(=O)NCc2ccc(cc2)C(=O)NNC(=O)c3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.4 c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)Cl)F
InChIInChI1.03 InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28)
InChIKeyInChI1.03 FYIBXBFDXNPBSF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2333945
PubChem 4787937
ChEMBL CHEMBL2333945