N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide

C18H17F3N2O3S — CID 132535218

IUPACN-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC1(C)COC(c2ccccc2NS(=O)(=O)c2ccccc2C(F)(F)F)=N1
InChIInChI=1S/C18H17F3N2O3S/c1-17(2)11-26-16(22-17)12-7-3-5-9-14(12)23-27(24,25)15-10-6-4-8-13(15)18(19,20)21/h3-10,23H,11H2,1-2H3
InChIKeyIQTSUCVJGNRJNX-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.06
Rot. Bonds4

About N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 132535218) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID132535218
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC NameN-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC1(C)COC(c2ccccc2NS(=O)(=O)c2ccccc2C(F)(F)F)=N1
InChIInChI=1S/C18H17F3N2O3S/c1-17(2)11-26-16(22-17)12-7-3-5-9-14(12)23-27(24,25)15-10-6-4-8-13(15)18(19,20)21/h3-10,23H,11H2,1-2H3
InChIKeyIQTSUCVJGNRJNX-UHFFFAOYSA-N
XLogP4.06
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide (CID 132535218) is N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide is CC1(C)COC(c2ccccc2NS(=O)(=O)c2ccccc2C(F)(F)F)=N1.
What is the InChIKey of N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IQTSUCVJGNRJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c1-17(2)11-26-16(22-17)12-7-3-5-9-14(12)23-27(24,25)15-10-6-4-8-13(15)18(19,20)21/h3-10,23H,11H2,1-2H3.
What are the key properties of N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 398.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 132535218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).