3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide

C12H11F3N2O3S — CID 17421857

IUPAC3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O3S/c1-7-11(8(2)20-16-7)21(18,19)17-10-5-3-9(4-6-10)12(13,14)15/h3-6,17H,1-2H3
InChIKeyYDHHTJGYDGAEBE-UHFFFAOYSA-N
MW320.29 g/mol
LogP3.11
Rot. Bonds3

About 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide (PubChem CID 17421857) has the molecular formula C12H11F3N2O3S and a molecular weight of 320.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide
PubChem CID17421857
Molecular FormulaC12H11F3N2O3S
Molecular Weight320.29 g/mol
Exact Mass320.04
IUPAC Name3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O3S/c1-7-11(8(2)20-16-7)21(18,19)17-10-5-3-9(4-6-10)12(13,14)15/h3-6,17H,1-2H3
InChIKeyYDHHTJGYDGAEBE-UHFFFAOYSA-N
XLogP3.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide (CID 17421857) is 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is YDHHTJGYDGAEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3S/c1-7-11(8(2)20-16-7)21(18,19)17-10-5-3-9(4-6-10)12(13,14)15/h3-6,17H,1-2H3.
What are the key properties of 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 320.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 17421857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).