2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide

C22H18N2O3S — CID 71934163

IUPAC2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)on1)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H18N2O3S/c25-28(26,22-14-8-7-13-20(22)17-9-3-1-4-10-17)23-16-19-15-21(27-24-19)18-11-5-2-6-12-18/h1-15,23H,16H2
InChIKeyKFQARWQOYAVRCP-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.49
Rot. Bonds6

About 2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide

2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide (PubChem CID 71934163) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
PubChem CID71934163
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)on1)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H18N2O3S/c25-28(26,22-14-8-7-13-20(22)17-9-3-1-4-10-17)23-16-19-15-21(27-24-19)18-11-5-2-6-12-18/h1-15,23H,16H2
InChIKeyKFQARWQOYAVRCP-UHFFFAOYSA-N
XLogP4.49
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide (CID 71934163) is 2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1cc(-c2ccccc2)on1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is KFQARWQOYAVRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c25-28(26,22-14-8-7-13-20(22)17-9-3-1-4-10-17)23-16-19-15-21(27-24-19)18-11-5-2-6-12-18/h1-15,23H,16H2.
What are the key properties of 2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide?
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71934163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).