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

C16H14N2O3S — CID 110402160

IUPAC3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2oncc2-c2ccccc2)c1
InChIInChI=1S/C16H14N2O3S/c1-12-6-5-9-14(10-12)22(19,20)18-16-15(11-17-21-16)13-7-3-2-4-8-13/h2-11,18H,1H3
InChIKeyVHIBXFYCWJFHRL-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.45
Rot. Bonds4

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

3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 110402160) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID110402160
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2oncc2-c2ccccc2)c1
InChIInChI=1S/C16H14N2O3S/c1-12-6-5-9-14(10-12)22(19,20)18-16-15(11-17-21-16)13-7-3-2-4-8-13/h2-11,18H,1H3
InChIKeyVHIBXFYCWJFHRL-UHFFFAOYSA-N
XLogP3.45
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 110402160) is 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2oncc2-c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is VHIBXFYCWJFHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-12-6-5-9-14(10-12)22(19,20)18-16-15(11-17-21-16)13-7-3-2-4-8-13/h2-11,18H,1H3.
What are the key properties of 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide?
3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110402160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).