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

C16H11F3N2O3S — CID 158349761

IUPACN-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)on1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)12-6-8-13(9-7-12)25(22,23)21-15-10-14(24-20-15)11-4-2-1-3-5-11/h1-10H,(H,20,21)
InChIKeyGSEAFJMWMALCAV-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.16
Rot. Bonds4

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

N-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 158349761) has the molecular formula C16H11F3N2O3S and a molecular weight of 368.34 g/mol. Its IUPAC name is N-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID158349761
Molecular FormulaC16H11F3N2O3S
Molecular Weight368.34 g/mol
Exact Mass368.04
IUPAC NameN-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)on1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)12-6-8-13(9-7-12)25(22,23)21-15-10-14(24-20-15)11-4-2-1-3-5-11/h1-10H,(H,20,21)
InChIKeyGSEAFJMWMALCAV-UHFFFAOYSA-N
XLogP4.16
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 158349761) is N-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)on1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GSEAFJMWMALCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3S/c17-16(18,19)12-6-8-13(9-7-12)25(22,23)21-15-10-14(24-20-15)11-4-2-1-3-5-11/h1-10H,(H,20,21).
What are the key properties of N-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 368.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 158349761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).