4-propanoyl-N-propan-2-ylbenzenesulfonamide

C12H17NO3S — CID 70931286

IUPAC4-propanoyl-N-propan-2-ylbenzenesulfonamide
SMILESCCC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C12H17NO3S/c1-4-12(14)10-5-7-11(8-6-10)17(15,16)13-9(2)3/h5-9,13H,4H2,1-3H3
InChIKeyOTXDPAHSESNEKY-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.97
Rot. Bonds5

About 4-propanoyl-N-propan-2-ylbenzenesulfonamide

4-propanoyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 70931286) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-propanoyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-propanoyl-N-propan-2-ylbenzenesulfonamide
PubChem CID70931286
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-propanoyl-N-propan-2-ylbenzenesulfonamide
SMILESCCC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C12H17NO3S/c1-4-12(14)10-5-7-11(8-6-10)17(15,16)13-9(2)3/h5-9,13H,4H2,1-3H3
InChIKeyOTXDPAHSESNEKY-UHFFFAOYSA-N
XLogP1.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxybutan-2-yl)-4-propanoylbenzenesulfonamide
CID 82164437
4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
CID 82164855
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide
CID 58143729
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 103920276
4-propanoylbenzenesulfonic acid
CID 151190628
N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119584451
(4-ethylphenyl) 4-(propan-2-ylsulfamoyl)benzoate
CID 16592113
3-(4-propanoylphenyl)sulfonylbutan-2-one
CID 82164567
2-[4-(propan-2-ylsulfamoyl)phenyl]butanoic acid
CID 113428098
2-methyl-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119237016
N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 65031709

Frequently Asked Questions

What is the IUPAC name of 4-propanoyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-propanoyl-N-propan-2-ylbenzenesulfonamide (CID 70931286) is 4-propanoyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-propanoyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-propanoyl-N-propan-2-ylbenzenesulfonamide is CCC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-propanoyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is OTXDPAHSESNEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-12(14)10-5-7-11(8-6-10)17(15,16)13-9(2)3/h5-9,13H,4H2,1-3H3.
What are the key properties of 4-propanoyl-N-propan-2-ylbenzenesulfonamide?
4-propanoyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propanoyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 70931286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).