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

C15H12N2O4S — CID 44593178

IUPAC4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc(=O)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C15H12N2O4S/c16-22(19,20)12-8-6-11(7-9-12)14-13(17-15(18)21-14)10-4-2-1-3-5-10/h1-9H,(H,17,18)(H2,16,19,20)
InChIKeyXQVSFQBKZWJYMT-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.95
Rot. Bonds3

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

4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 44593178) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is 4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID44593178
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc(=O)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C15H12N2O4S/c16-22(19,20)12-8-6-11(7-9-12)14-13(17-15(18)21-14)10-4-2-1-3-5-10/h1-9H,(H,17,18)(H2,16,19,20)
InChIKeyXQVSFQBKZWJYMT-UHFFFAOYSA-N
XLogP1.95
TPSA106.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide (CID 44593178) is 4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2oc(=O)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is XQVSFQBKZWJYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c16-22(19,20)12-8-6-11(7-9-12)14-13(17-15(18)21-14)10-4-2-1-3-5-10/h1-9H,(H,17,18)(H2,16,19,20).
What are the key properties of 4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide?
4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 316.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-4-phenyl-3H-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 44593178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).