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N-(3-((5-(4-(trifluoromethyl)phenyl)oxazol-2-yl)amino)phenyl) methane sulfonamide

HCID 71060442
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)c1
InChIKey
IBBGGDIYEPFNMS-UHFFFAOYSA-N
Molecular formula
C17H14F3N3O3S
Average molar mass
397.4 g/mol

Names & identifiers

Preferred name
N-(3-((5-(4-(trifluoromethyl)phenyl)oxazol-2-yl)amino)phenyl) methane sulfonamide
IUPAC
N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide

Names & synonyms

N-(3-((5-(4-(trifluoromethyl)phenyl)oxazol-2-yl)amino)phenyl) methane sulfonamideSCHEMBL14058172N-(3-((5-(4-(trifluoromethyl)phenyl)oxazol-2-yl)amino)phenyl)methane sulfonamide

Database identifiers

PubChem CID
71060442

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
92.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
27
Formal charge
0
Complexity
588

Related reactions

4 records
New reaction record
HRID 187240 reaction equation
HRID 187240As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 537864 reaction equation
HRID 537864As productuspto-grants-2014_10
HRID 1035816 reaction equation
HRID 1035816As productuspto-grants-2013_10
HRID 1038432 reaction equation
HRID 1038432As productuspto-grants-2013_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes