5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide

C16H11F3N2O3S — CID 67621805

IUPAC5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2ncco2)c(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)13-8-11(10-4-2-1-3-5-10)12(15-21-6-7-24-15)9-14(13)25(20,22)23/h1-9H,(H2,20,22,23)
InChIKeyQYZFQXGFTNIIQY-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.67
Rot. Bonds3

About 5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide

5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 67621805) has the molecular formula C16H11F3N2O3S and a molecular weight of 368.34 g/mol. Its IUPAC name is 5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID67621805
Molecular FormulaC16H11F3N2O3S
Molecular Weight368.34 g/mol
Exact Mass368.04
IUPAC Name5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2ncco2)c(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)13-8-11(10-4-2-1-3-5-10)12(15-21-6-7-24-15)9-14(13)25(20,22)23/h1-9H,(H2,20,22,23)
InChIKeyQYZFQXGFTNIIQY-UHFFFAOYSA-N
XLogP3.67
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide (CID 67621805) is 5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1cc(-c2ncco2)c(-c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QYZFQXGFTNIIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3S/c17-16(18,19)13-8-11(10-4-2-1-3-5-10)12(15-21-6-7-24-15)9-14(13)25(20,22)23/h1-9H,(H2,20,22,23).
What are the key properties of 5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide?
5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 368.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-oxazol-2-yl)-4-phenyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67621805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).