3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide

C11H12N2O3S — CID 2805740

IUPAC3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C11H12N2O3S/c1-8-11(9(2)16-12-8)17(14,15)13-10-6-4-3-5-7-10/h3-7,13H,1-2H3
InChIKeyYDVWAPHIGLACHM-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.09
Rot. Bonds3

About 3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide (PubChem CID 2805740) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
PubChem CID2805740
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C11H12N2O3S/c1-8-11(9(2)16-12-8)17(14,15)13-10-6-4-3-5-7-10/h3-7,13H,1-2H3
InChIKeyYDVWAPHIGLACHM-UHFFFAOYSA-N
XLogP2.09
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide (CID 2805740) is 3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide?
The InChIKey is YDVWAPHIGLACHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-8-11(9(2)16-12-8)17(14,15)13-10-6-4-3-5-7-10/h3-7,13H,1-2H3.
What are the key properties of 3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide has a molecular weight of 252.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 2805740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).