5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole

C15H9Cl2NO3S — CID 24874346

IUPAC5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole
SMILESO=S(=O)(c1ccccc1)c1cc(-c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C15H9Cl2NO3S/c16-11-7-4-8-12(17)15(11)13-9-14(21-18-13)22(19,20)10-5-2-1-3-6-10/h1-9H
InChIKeyNROVDRJQDVFOMY-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.48
Rot. Bonds3

About 5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole

5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole (PubChem CID 24874346) has the molecular formula C15H9Cl2NO3S and a molecular weight of 354.21 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole
PubChem CID24874346
Molecular FormulaC15H9Cl2NO3S
Molecular Weight354.21 g/mol
Exact Mass352.97
IUPAC Name5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole
SMILESO=S(=O)(c1ccccc1)c1cc(-c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C15H9Cl2NO3S/c16-11-7-4-8-12(17)15(11)13-9-14(21-18-13)22(19,20)10-5-2-1-3-6-10/h1-9H
InChIKeyNROVDRJQDVFOMY-UHFFFAOYSA-N
XLogP4.48
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole?
The IUPAC name of 5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole (CID 24874346) is 5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole?
The canonical SMILES for 5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole is O=S(=O)(c1ccccc1)c1cc(-c2c(Cl)cccc2Cl)no1.
What is the InChIKey of 5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole?
The InChIKey is NROVDRJQDVFOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO3S/c16-11-7-4-8-12(17)15(11)13-9-14(21-18-13)22(19,20)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole?
5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole has a molecular weight of 354.21 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-3-(2,6-dichlorophenyl)-1,2-oxazole is sourced from PubChem (CID 24874346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).