N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide

C17H12F3N3O3S — CID 123961076

IUPACN-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C=Cc2noc(C(F)(F)F)n2)cc1)c1ccccc1
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)16-21-15(22-26-16)11-8-12-6-9-13(10-7-12)23-27(24,25)14-4-2-1-3-5-14/h1-11,23H
InChIKeyNNYJBQGLTQDPRE-UHFFFAOYSA-N
MW395.36 g/mol
LogP4.06
Rot. Bonds5

About N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide

N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide (PubChem CID 123961076) has the molecular formula C17H12F3N3O3S and a molecular weight of 395.36 g/mol. Its IUPAC name is N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide
PubChem CID123961076
Molecular FormulaC17H12F3N3O3S
Molecular Weight395.36 g/mol
Exact Mass395.06
IUPAC NameN-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C=Cc2noc(C(F)(F)F)n2)cc1)c1ccccc1
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)16-21-15(22-26-16)11-8-12-6-9-13(10-7-12)23-27(24,25)14-4-2-1-3-5-14/h1-11,23H
InChIKeyNNYJBQGLTQDPRE-UHFFFAOYSA-N
XLogP4.06
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide
CID 123807857
N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide
CID 123663693
N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 174717303
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide
CID 166232405
methyl 3-[4-(benzenesulfonamido)phenyl]prop-2-enoate
CID 67019618
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4844260
3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019636
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]benzenesulfonamide
CID 156666698
5-(benzenesulfonamido)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 10759280
N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 54340665
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]benzenesulfonamide
CID 156666693

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide (CID 123961076) is N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C=Cc2noc(C(F)(F)F)n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide?
The InChIKey is NNYJBQGLTQDPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3S/c18-17(19,20)16-21-15(22-26-16)11-8-12-6-9-13(10-7-12)23-27(24,25)14-4-2-1-3-5-14/h1-11,23H.
What are the key properties of N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide?
N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide has a molecular weight of 395.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 123961076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).