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

C18H11F3N4O3S — CID 123807857

IUPACN-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cccc(C=Cc3noc(C(F)(F)F)n3)c2)cc1
InChIInChI=1S/C18H11F3N4O3S/c19-18(20,21)17-23-16(24-28-17)9-6-12-2-1-3-15(10-12)29(26,27)25-14-7-4-13(11-22)5-8-14/h1-10,25H
InChIKeyPMEMFUVUHKSWAC-UHFFFAOYSA-N
MW420.37 g/mol
LogP3.93
Rot. Bonds5

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

N-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide (PubChem CID 123807857) has the molecular formula C18H11F3N4O3S and a molecular weight of 420.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide
PubChem CID123807857
Molecular FormulaC18H11F3N4O3S
Molecular Weight420.37 g/mol
Exact Mass420.05
IUPAC NameN-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cccc(C=Cc3noc(C(F)(F)F)n3)c2)cc1
InChIInChI=1S/C18H11F3N4O3S/c19-18(20,21)17-23-16(24-28-17)9-6-12-2-1-3-15(10-12)29(26,27)25-14-7-4-13(11-22)5-8-14/h1-10,25H
InChIKeyPMEMFUVUHKSWAC-UHFFFAOYSA-N
XLogP3.93
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide
CID 123663693
N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide
CID 123961076
3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 7938889
methyl (E)-3-[3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoate
CID 155135938
N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 174717303
N-(4-cyanophenyl)-3-(4-nitro-1,3-benzoxazol-2-yl)benzenesulfonamide
CID 10223876
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 109065822
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide
CID 75475225
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-benzofuran-2-sulfonamide
CID 166232405

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide (CID 123807857) is N-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2cccc(C=Cc3noc(C(F)(F)F)n3)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide?
The InChIKey is PMEMFUVUHKSWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O3S/c19-18(20,21)17-23-16(24-28-17)9-6-12-2-1-3-15(10-12)29(26,27)25-14-7-4-13(11-22)5-8-14/h1-10,25H.
What are the key properties of N-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide?
N-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide has a molecular weight of 420.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]benzenesulfonamide is sourced from PubChem (CID 123807857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).