4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide

C13H19NO3S — CID 82164855

IUPAC4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1
InChIInChI=1S/C13H19NO3S/c1-9(2)13(15)11-5-7-12(8-6-11)18(16,17)14-10(3)4/h5-10,14H,1-4H3
InChIKeyKFZWMNGGVROKCM-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.21
Rot. Bonds5

About 4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide

4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 82164855) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID82164855
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1
InChIInChI=1S/C13H19NO3S/c1-9(2)13(15)11-5-7-12(8-6-11)18(16,17)14-10(3)4/h5-10,14H,1-4H3
InChIKeyKFZWMNGGVROKCM-UHFFFAOYSA-N
XLogP2.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propanoyl-N-propan-2-ylbenzenesulfonamide
CID 70931286
N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide
CID 94779737
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 103920276
2-methyl-1-(4-methylsulfonylphenyl)propan-1-one
CID 11229875
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
4-(2-methylpropanoyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 84599289
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide
CID 58143729
4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958107
4-(3,3-dimethylbutan-2-ylsulfamoyl)benzoic acid
CID 104827566
2-methyl-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119237016

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide (CID 82164855) is 4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1.
What is the InChIKey of 4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is KFZWMNGGVROKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9(2)13(15)11-5-7-12(8-6-11)18(16,17)14-10(3)4/h5-10,14H,1-4H3.
What are the key properties of 4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide?
4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82164855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).