2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole

C15H11ClFNO3S — CID 53238594

IUPAC2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(-c3cccc(Cl)c3F)nc2c1
InChIInChI=1S/C15H11ClFNO3S/c1-2-22(19,20)9-6-7-13-12(8-9)18-15(21-13)10-4-3-5-11(16)14(10)17/h3-8H,2H2,1H3
InChIKeyUUXZALGPUWDSKR-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.08
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole

2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole (PubChem CID 53238594) has the molecular formula C15H11ClFNO3S and a molecular weight of 339.78 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole
PubChem CID53238594
Molecular FormulaC15H11ClFNO3S
Molecular Weight339.78 g/mol
Exact Mass339.01
IUPAC Name2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(-c3cccc(Cl)c3F)nc2c1
InChIInChI=1S/C15H11ClFNO3S/c1-2-22(19,20)9-6-7-13-12(8-9)18-15(21-13)10-4-3-5-11(16)14(10)17/h3-8H,2H2,1H3
InChIKeyUUXZALGPUWDSKR-UHFFFAOYSA-N
XLogP4.08
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole (CID 53238594) is 2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole is CCS(=O)(=O)c1ccc2oc(-c3cccc(Cl)c3F)nc2c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole?
The InChIKey is UUXZALGPUWDSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3S/c1-2-22(19,20)9-6-7-13-12(8-9)18-15(21-13)10-4-3-5-11(16)14(10)17/h3-8H,2H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole?
2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole has a molecular weight of 339.78 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole is sourced from PubChem (CID 53238594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).