N-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide

C12H12F3N3O3S2 — CID 1438572

IUPACN-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nnc(SCc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H12F3N3O3S2/c1-23(19,20)16-6-10-17-18-11(21-10)22-7-8-2-4-9(5-3-8)12(13,14)15/h2-5,16H,6-7H2,1H3
InChIKeyPHLXDHNYATYMCV-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.43
Rot. Bonds6

About N-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide

N-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide (PubChem CID 1438572) has the molecular formula C12H12F3N3O3S2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
PubChem CID1438572
Molecular FormulaC12H12F3N3O3S2
Molecular Weight367.37 g/mol
Exact Mass367.03
IUPAC NameN-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nnc(SCc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H12F3N3O3S2/c1-23(19,20)16-6-10-17-18-11(21-10)22-7-8-2-4-9(5-3-8)12(13,14)15/h2-5,16H,6-7H2,1H3
InChIKeyPHLXDHNYATYMCV-UHFFFAOYSA-N
XLogP2.43
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide 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-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide (CID 1438572) is N-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1nnc(SCc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The InChIKey is PHLXDHNYATYMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3S2/c1-23(19,20)16-6-10-17-18-11(21-10)22-7-8-2-4-9(5-3-8)12(13,14)15/h2-5,16H,6-7H2,1H3.
What are the key properties of N-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
N-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide has a molecular weight of 367.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 1438572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).