4-acetyl-2-propylbenzenesulfonamide

C11H15NO3S — CID 73012694

IUPAC4-acetyl-2-propylbenzenesulfonamide
SMILESCCCc1cc(C(C)=O)ccc1S(N)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-3-4-10-7-9(8(2)13)5-6-11(10)16(12,14)15/h5-7H,3-4H2,1-2H3,(H2,12,14,15)
InChIKeyNLFFXFRTFUTRQO-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.49
Rot. Bonds4

About 4-acetyl-2-propylbenzenesulfonamide

4-acetyl-2-propylbenzenesulfonamide (PubChem CID 73012694) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-acetyl-2-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-2-propylbenzenesulfonamide
PubChem CID73012694
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-acetyl-2-propylbenzenesulfonamide
SMILESCCCc1cc(C(C)=O)ccc1S(N)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-3-4-10-7-9(8(2)13)5-6-11(10)16(12,14)15/h5-7H,3-4H2,1-2H3,(H2,12,14,15)
InChIKeyNLFFXFRTFUTRQO-UHFFFAOYSA-N
XLogP1.49
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-4-propylphenyl)ethanone
CID 118119464
1-(3-hydroxy-4-methylsulfonylphenyl)ethanone
CID 47003472
N-[2-(5-chloro-2-sulfamoylphenyl)ethyl]acetamide
CID 118162125
2-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 67168218
1-(3-butan-2-yl-4-propylphenyl)ethanone
CID 165142763
4-iodo-2-pentylbenzenesulfonamide
CID 22908610
4-acetyl-2-bromo-N-methylbenzenesulfonamide
CID 157311179
N-(diaminomethylidene)-2-ethyl-4-propyl-5-sulfamoylbenzamide
CID 18937160
2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one
CID 19835265
1-[4-(2-phenoxyethoxy)-3-propylphenyl]ethanone
CID 126558424
4-benzyl-3-butyl-5-sulfamoylbenzoic acid
CID 154132980
1-[4-bromo-3-(hydroxymethyl)phenyl]ethanone
CID 118573514

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-propylbenzenesulfonamide?
The IUPAC name of 4-acetyl-2-propylbenzenesulfonamide (CID 73012694) is 4-acetyl-2-propylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-2-propylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-2-propylbenzenesulfonamide is CCCc1cc(C(C)=O)ccc1S(N)(=O)=O.
What is the InChIKey of 4-acetyl-2-propylbenzenesulfonamide?
The InChIKey is NLFFXFRTFUTRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-4-10-7-9(8(2)13)5-6-11(10)16(12,14)15/h5-7H,3-4H2,1-2H3,(H2,12,14,15).
What are the key properties of 4-acetyl-2-propylbenzenesulfonamide?
4-acetyl-2-propylbenzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-propylbenzenesulfonamide is sourced from PubChem (CID 73012694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).