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

C16H14N2O5S — CID 10665242

IUPAC4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1
InChIInChI=1S/C16H14N2O5S/c1-22-13-6-4-12(5-7-13)18-15(10-23-16(18)19)11-2-8-14(9-3-11)24(17,20)21/h2-10H,1H3,(H2,17,20,21)
InChIKeyNEACQHJUFCVZIJ-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.75
Rot. Bonds4

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

4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10665242) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10665242
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1
InChIInChI=1S/C16H14N2O5S/c1-22-13-6-4-12(5-7-13)18-15(10-23-16(18)19)11-2-8-14(9-3-11)24(17,20)21/h2-10H,1H3,(H2,17,20,21)
InChIKeyNEACQHJUFCVZIJ-UHFFFAOYSA-N
XLogP1.75
TPSA104.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 10665242) is 4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is COc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is NEACQHJUFCVZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-22-13-6-4-12(5-7-13)18-15(10-23-16(18)19)11-2-8-14(9-3-11)24(17,20)21/h2-10H,1H3,(H2,17,20,21).
What are the key properties of 4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 346.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10665242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).