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

C16H14N2O4S — CID 42632610

IUPAC4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCn1c(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)oc1=O
InChIInChI=1S/C16H14N2O4S/c1-18-14(11-5-3-2-4-6-11)15(22-16(18)19)12-7-9-13(10-8-12)23(17,20)21/h2-10H,1H3,(H2,17,20,21)
InChIKeyUUQDSPWZJMNRIR-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.96
Rot. Bonds3

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

4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 42632610) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID42632610
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCn1c(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)oc1=O
InChIInChI=1S/C16H14N2O4S/c1-18-14(11-5-3-2-4-6-11)15(22-16(18)19)12-7-9-13(10-8-12)23(17,20)21/h2-10H,1H3,(H2,17,20,21)
InChIKeyUUQDSPWZJMNRIR-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 42632610) is 4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide is Cn1c(-c2ccccc2)c(-c2ccc(S(N)(=O)=O)cc2)oc1=O.
What is the InChIKey of 4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is UUQDSPWZJMNRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-18-14(11-5-3-2-4-6-11)15(22-16(18)19)12-7-9-13(10-8-12)23(17,20)21/h2-10H,1H3,(H2,17,20,21).
What are the key properties of 4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide?
4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-oxo-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 42632610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).