N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C13H14N2O4S — CID 3245061

IUPACN-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C13H14N2O4S/c1-8-13(10(3)19-14-8)20(17,18)15-12-6-4-5-11(7-12)9(2)16/h4-7,15H,1-3H3
InChIKeyMZVWVVRFDDLKPE-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.29
Rot. Bonds4

About N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 3245061) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID3245061
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC NameN-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C13H14N2O4S/c1-8-13(10(3)19-14-8)20(17,18)15-12-6-4-5-11(7-12)9(2)16/h4-7,15H,1-3H3
InChIKeyMZVWVVRFDDLKPE-UHFFFAOYSA-N
XLogP2.29
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 3245061) is N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MZVWVVRFDDLKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-8-13(10(3)19-14-8)20(17,18)15-12-6-4-5-11(7-12)9(2)16/h4-7,15H,1-3H3.
What are the key properties of N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 294.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3245061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).