3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C16H11ClF3NO4S — CID 155413299

IUPAC3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESO=S(=O)(c1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1)c1ccccc1Cl
InChIInChI=1S/C16H11ClF3NO4S/c17-12-3-1-2-4-14(12)26(23,24)11-7-5-10(6-8-11)13-9-15(22,25-21-13)16(18,19)20/h1-8,22H,9H2
InChIKeyJIEKFNOJKZSJHN-UHFFFAOYSA-N
MW405.78 g/mol
LogP3.55
Rot. Bonds3

About 3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155413299) has the molecular formula C16H11ClF3NO4S and a molecular weight of 405.78 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155413299
Molecular FormulaC16H11ClF3NO4S
Molecular Weight405.78 g/mol
Exact Mass405.00
IUPAC Name3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESO=S(=O)(c1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1)c1ccccc1Cl
InChIInChI=1S/C16H11ClF3NO4S/c17-12-3-1-2-4-14(12)26(23,24)11-7-5-10(6-8-11)13-9-15(22,25-21-13)16(18,19)20/h1-8,22H,9H2
InChIKeyJIEKFNOJKZSJHN-UHFFFAOYSA-N
XLogP3.55
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155413299) is 3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is O=S(=O)(c1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1)c1ccccc1Cl.
What is the InChIKey of 3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is JIEKFNOJKZSJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO4S/c17-12-3-1-2-4-14(12)26(23,24)11-7-5-10(6-8-11)13-9-15(22,25-21-13)16(18,19)20/h1-8,22H,9H2.
What are the key properties of 3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 405.78 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155413299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).