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

C9H6F3N3O3S — CID 174717303

IUPACN-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1noc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C9H6F3N3O3S/c10-9(11,12)7-13-8(14-18-7)15-19(16,17)6-4-2-1-3-5-6/h1-5H,(H,14,15)
InChIKeyVWBVVNNXJBDGHQ-UHFFFAOYSA-N
MW293.23 g/mol
LogP1.89
Rot. Bonds3

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

N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 174717303) has the molecular formula C9H6F3N3O3S and a molecular weight of 293.23 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID174717303
Molecular FormulaC9H6F3N3O3S
Molecular Weight293.23 g/mol
Exact Mass293.01
IUPAC NameN-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1noc(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C9H6F3N3O3S/c10-9(11,12)7-13-8(14-18-7)15-19(16,17)6-4-2-1-3-5-6/h1-5H,(H,14,15)
InChIKeyVWBVVNNXJBDGHQ-UHFFFAOYSA-N
XLogP1.89
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]benzenesulfonamide
CID 123961076
N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenesulfonamide
CID 84599824
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]benzenesulfonamide
CID 156666693
N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide
CID 75475225
N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 167817452
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
methyl-oxo-phenyl-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]imino-λ6-sulfane
CID 153332435
N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide
CID 156903066
2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide
CID 155969236
N-(5-methyl-1,2-oxazol-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 155962472
N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 18617283

Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 174717303) is N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1noc(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is VWBVVNNXJBDGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O3S/c10-9(11,12)7-13-8(14-18-7)15-19(16,17)6-4-2-1-3-5-6/h1-5H,(H,14,15).
What are the key properties of N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 293.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 174717303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).