4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

C17H16N2O4S — CID 10545379

IUPAC4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCCc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1
InChIInChI=1S/C17H16N2O4S/c1-2-12-3-7-14(8-4-12)19-16(11-23-17(19)20)13-5-9-15(10-6-13)24(18,21)22/h3-11H,2H2,1H3,(H2,18,21,22)
InChIKeyNPFSJHMTRJMHMU-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.31
Rot. Bonds4

About 4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10545379) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10545379
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCCc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1
InChIInChI=1S/C17H16N2O4S/c1-2-12-3-7-14(8-4-12)19-16(11-23-17(19)20)13-5-9-15(10-6-13)24(18,21)22/h3-11H,2H2,1H3,(H2,18,21,22)
InChIKeyNPFSJHMTRJMHMU-UHFFFAOYSA-N
XLogP2.31
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 10545379) is 4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is CCc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1.
What is the InChIKey of 4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is NPFSJHMTRJMHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-2-12-3-7-14(8-4-12)19-16(11-23-17(19)20)13-5-9-15(10-6-13)24(18,21)22/h3-11H,2H2,1H3,(H2,18,21,22).
What are the key properties of 4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10545379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).