2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C13H16N2O3S — CID 577223

IUPAC2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc(C)on2)c(C)c1
InChIInChI=1S/C13H16N2O3S/c1-8-5-9(2)13(10(3)6-8)19(16,17)15-12-7-11(4)18-14-12/h5-7H,1-4H3,(H,14,15)
InChIKeyCEWJFUKOFXOALB-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.71
Rot. Bonds3

About 2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 577223) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID577223
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc(C)on2)c(C)c1
InChIInChI=1S/C13H16N2O3S/c1-8-5-9(2)13(10(3)6-8)19(16,17)15-12-7-11(4)18-14-12/h5-7H,1-4H3,(H,14,15)
InChIKeyCEWJFUKOFXOALB-UHFFFAOYSA-N
XLogP2.71
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 577223) is 2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cc(C)on2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is CEWJFUKOFXOALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-8-5-9(2)13(10(3)6-8)19(16,17)15-12-7-11(4)18-14-12/h5-7H,1-4H3,(H,14,15).
What are the key properties of 2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 577223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).