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

C16H14N2O4S — CID 10711484

IUPAC4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1cccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)c1
InChIInChI=1S/C16H14N2O4S/c1-11-3-2-4-13(9-11)18-15(10-22-16(18)19)12-5-7-14(8-6-12)23(17,20)21/h2-10H,1H3,(H2,17,20,21)
InChIKeyVDJKUOJXTDRTKV-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.05
Rot. Bonds3

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

4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10711484) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10711484
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1cccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)c1
InChIInChI=1S/C16H14N2O4S/c1-11-3-2-4-13(9-11)18-15(10-22-16(18)19)12-5-7-14(8-6-12)23(17,20)21/h2-10H,1H3,(H2,17,20,21)
InChIKeyVDJKUOJXTDRTKV-UHFFFAOYSA-N
XLogP2.05
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 10711484) is 4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is Cc1cccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)c1.
What is the InChIKey of 4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is VDJKUOJXTDRTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-11-3-2-4-13(9-11)18-15(10-22-16(18)19)12-5-7-14(8-6-12)23(17,20)21/h2-10H,1H3,(H2,17,20,21).
What are the key properties of 4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10711484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).