3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide

C16H10ClF3N2O3S — CID 139808300

IUPAC3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2nc(C(F)(F)F)oc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H10ClF3N2O3S/c17-11-6-4-9(5-7-11)14-13(22-15(25-14)16(18,19)20)10-2-1-3-12(8-10)26(21,23)24/h1-8H,(H2,21,23,24)
InChIKeySKOLBTKGFYOYOF-UHFFFAOYSA-N
MW402.78 g/mol
LogP4.33
Rot. Bonds3

About 3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide

3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 139808300) has the molecular formula C16H10ClF3N2O3S and a molecular weight of 402.78 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID139808300
Molecular FormulaC16H10ClF3N2O3S
Molecular Weight402.78 g/mol
Exact Mass402.01
IUPAC Name3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2nc(C(F)(F)F)oc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H10ClF3N2O3S/c17-11-6-4-9(5-7-11)14-13(22-15(25-14)16(18,19)20)10-2-1-3-12(8-10)26(21,23)24/h1-8H,(H2,21,23,24)
InChIKeySKOLBTKGFYOYOF-UHFFFAOYSA-N
XLogP4.33
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.78
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(3-chlorophenyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 139808271
3-[3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzenesulfonamide
CID 57468918
4-[2-(2-hydroxypropan-2-yl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 139808290
4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701480
4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 67621648
2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
CID 11949254
4-[5-(3-bromo-5-fluoro-4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-N-methylbenzenesulfonamide
CID 18435823
3-(2-fluorophenyl)benzenesulfonamide
CID 71091103
ethyl 2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetate
CID 11949253
2-bromo-2-[5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
CID 54020912
4-[4-(3-chloro-4-methylphenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide;4-[4-(3-chlorophenyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]benzenesulfonamide
CID 161098031
3-[3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzenesulfonic acid
CID 57468919

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide (CID 139808300) is 3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2nc(C(F)(F)F)oc2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is SKOLBTKGFYOYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O3S/c17-11-6-4-9(5-7-11)14-13(22-15(25-14)16(18,19)20)10-2-1-3-12(8-10)26(21,23)24/h1-8H,(H2,21,23,24).
What are the key properties of 3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide?
3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 402.78 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 139808300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).