2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide

C17H16N2O3S — CID 67597127

IUPAC2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCc1noc(-c2ccccc2S(N)(=O)=O)c1-c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-2-14-16(12-8-4-3-5-9-12)17(22-19-14)13-10-6-7-11-15(13)23(18,20)21/h3-11H,2H2,1H3,(H2,18,20,21)
InChIKeyKXUIMLOMMINUFN-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.22
Rot. Bonds4

About 2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide

2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 67597127) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID67597127
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCc1noc(-c2ccccc2S(N)(=O)=O)c1-c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-2-14-16(12-8-4-3-5-9-12)17(22-19-14)13-10-6-7-11-15(13)23(18,20)21/h3-11H,2H2,1H3,(H2,18,20,21)
InChIKeyKXUIMLOMMINUFN-UHFFFAOYSA-N
XLogP3.22
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 67597127) is 2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide is CCc1noc(-c2ccccc2S(N)(=O)=O)c1-c1ccccc1.
What is the InChIKey of 2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is KXUIMLOMMINUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-2-14-16(12-8-4-3-5-9-12)17(22-19-14)13-10-6-7-11-15(13)23(18,20)21/h3-11H,2H2,1H3,(H2,18,20,21).
What are the key properties of 2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide?
2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 67597127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).