N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide

C13H12F3N3O3S — CID 99834527

IUPACN-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1noc(C2CC2)n1)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O3S/c14-13(15,16)7-8-1-5-10(6-2-8)23(20,21)19-12-17-11(22-18-12)9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,18,19)
InChIKeyQFGMFEVXBRDOSV-UHFFFAOYSA-N
MW347.32 g/mol
LogP2.85
Rot. Bonds5

About N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide

N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 99834527) has the molecular formula C13H12F3N3O3S and a molecular weight of 347.32 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID99834527
Molecular FormulaC13H12F3N3O3S
Molecular Weight347.32 g/mol
Exact Mass347.06
IUPAC NameN-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1noc(C2CC2)n1)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O3S/c14-13(15,16)7-8-1-5-10(6-2-8)23(20,21)19-12-17-11(22-18-12)9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,18,19)
InChIKeyQFGMFEVXBRDOSV-UHFFFAOYSA-N
XLogP2.85
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 99834527) is N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(Nc1noc(C2CC2)n1)c1ccc(CC(F)(F)F)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is QFGMFEVXBRDOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3S/c14-13(15,16)7-8-1-5-10(6-2-8)23(20,21)19-12-17-11(22-18-12)9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,18,19).
What are the key properties of N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide?
N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 347.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 99834527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).