N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide

C16H11F3N2O4S — CID 3796264

IUPACN-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cnco2)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H11F3N2O4S/c17-16(18,19)25-13-6-1-2-7-15(13)26(22,23)21-12-5-3-4-11(8-12)14-9-20-10-24-14/h1-10,21H
InChIKeyXYQGRUVTKAPAOR-UHFFFAOYSA-N
MW384.34 g/mol
LogP4.04
Rot. Bonds5

About N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3796264) has the molecular formula C16H11F3N2O4S and a molecular weight of 384.34 g/mol. Its IUPAC name is N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID3796264
Molecular FormulaC16H11F3N2O4S
Molecular Weight384.34 g/mol
Exact Mass384.04
IUPAC NameN-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cnco2)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H11F3N2O4S/c17-16(18,19)25-13-6-1-2-7-15(13)26(22,23)21-12-5-3-4-11(8-12)14-9-20-10-24-14/h1-10,21H
InChIKeyXYQGRUVTKAPAOR-UHFFFAOYSA-N
XLogP4.04
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3733543
1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
CID 25348337
4-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 55826465
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 58896227
N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691965
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
tert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate
CID 103818671
N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 38944467
N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31064984
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
CID 18274848
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 3796264) is N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cccc(-c2cnco2)c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is XYQGRUVTKAPAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O4S/c17-16(18,19)25-13-6-1-2-7-15(13)26(22,23)21-12-5-3-4-11(8-12)14-9-20-10-24-14/h1-10,21H.
What are the key properties of N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 384.34 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3796264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).