4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide

C13H14N2O4S — CID 84599289

IUPAC4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccon2)cc1
InChIInChI=1S/C13H14N2O4S/c1-9(2)13(16)10-3-5-11(6-4-10)20(17,18)15-12-7-8-19-14-12/h3-9H,1-2H3,(H,14,15)
InChIKeyMOWQWQWTOZRKBM-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.31
Rot. Bonds5

About 4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide

4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 84599289) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID84599289
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccon2)cc1
InChIInChI=1S/C13H14N2O4S/c1-9(2)13(16)10-3-5-11(6-4-10)20(17,18)15-12-7-8-19-14-12/h3-9H,1-2H3,(H,14,15)
InChIKeyMOWQWQWTOZRKBM-UHFFFAOYSA-N
XLogP2.31
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
CID 82164855
N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide
CID 94779737
2-methyl-1-(1,2-oxazol-3-yl)propan-1-one
CID 134296437
N-(1,2-oxazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62904312
N-(1,2-oxazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 62904646
2-methyl-1-(4-methylsulfonylphenyl)propan-1-one
CID 11229875
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
N-(1,2-oxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 51698963
4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63618335
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 16595727
3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 113288340
3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904543

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide (CID 84599289) is 4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide is CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccon2)cc1.
What is the InChIKey of 4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is MOWQWQWTOZRKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-9(2)13(16)10-3-5-11(6-4-10)20(17,18)15-12-7-8-19-14-12/h3-9H,1-2H3,(H,14,15).
What are the key properties of 4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide?
4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 294.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 84599289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).