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

C16H14N2O3S — CID 1484368

IUPACN-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C16H14N2O3S/c19-22(20,15-9-5-2-6-10-15)17-12-14-11-16(18-21-14)13-7-3-1-4-8-13/h1-11,17H,12H2
InChIKeyRVEKYSOEPDYESP-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.82
Rot. Bonds5

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

N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 1484368) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID1484368
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C16H14N2O3S/c19-22(20,15-9-5-2-6-10-15)17-12-14-11-16(18-21-14)13-7-3-1-4-8-13/h1-11,17H,12H2
InChIKeyRVEKYSOEPDYESP-UHFFFAOYSA-N
XLogP2.82
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (CID 1484368) is N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1cc(-c2ccccc2)no1)c1ccccc1.
What is the InChIKey of N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is RVEKYSOEPDYESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c19-22(20,15-9-5-2-6-10-15)17-12-14-11-16(18-21-14)13-7-3-1-4-8-13/h1-11,17H,12H2.
What are the key properties of N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 1484368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).