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OCI

Summary
Name:2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:C14 H15 Cl N4 O3 S
Formal charge:0
Formula weight:354.812 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide
OpenEye OEToolkits2.0.72-[3-chloranyl-5-(sulfamoylamino)phenyl]-~{N}-(4-methylpyridin-3-yl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cnccc1C)Cc1cc(NS(N)(=O)=O)cc(Cl)c1
InChIInChI1.06InChI=1S/C14H15ClN4O3S/c1-9-2-3-17-8-13(9)18-14(20)6-10-4-11(15)7-12(5-10)19-23(16,21)22/h2-5,7-8,19H,6H2,1H3,(H,18,20)(H2,16,21,22)
InChIKeyInChI1.06NLTIJDKXVUTASZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N[S](N)(=O)=O)c2
SMILESCACTVS3.385Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N[S](N)(=O)=O)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NS(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NS(=O)(=O)N

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PDB entries from 2024-04-24

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