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

C16H11F3N2O3S — CID 11257147

IUPACN-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(C(F)(F)F)cc2)co1)c1ccccc1
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)12-8-6-11(7-9-12)14-10-24-15(20-14)21-25(22,23)13-4-2-1-3-5-13/h1-10H,(H,20,21)
InChIKeyWGTONQCOIHXYJF-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.16
Rot. Bonds4

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

N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide (PubChem CID 11257147) has the molecular formula C16H11F3N2O3S and a molecular weight of 368.34 g/mol. Its IUPAC name is N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide
PubChem CID11257147
Molecular FormulaC16H11F3N2O3S
Molecular Weight368.34 g/mol
Exact Mass368.04
IUPAC NameN-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(C(F)(F)F)cc2)co1)c1ccccc1
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)12-8-6-11(7-9-12)14-10-24-15(20-14)21-25(22,23)13-4-2-1-3-5-13/h1-10H,(H,20,21)
InChIKeyWGTONQCOIHXYJF-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-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide (CID 11257147) is N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc(-c2ccc(C(F)(F)F)cc2)co1)c1ccccc1.
What is the InChIKey of N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide?
The InChIKey is WGTONQCOIHXYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3S/c17-16(18,19)12-8-6-11(7-9-12)14-10-24-15(20-14)21-25(22,23)13-4-2-1-3-5-13/h1-10H,(H,20,21).
What are the key properties of N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide?
N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]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-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 11257147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).