3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide

C13H19NO3S — CID 43272373

IUPAC3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CC(C)C)c1
InChIInChI=1S/C13H19NO3S/c1-10(2)9-14(4)18(16,17)13-7-5-6-12(8-13)11(3)15/h5-8,10H,9H2,1-4H3
InChIKeyZQTXWJIATGKJCS-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.17
Rot. Bonds5

About 3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide

3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 43272373) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID43272373
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CC(C)C)c1
InChIInChI=1S/C13H19NO3S/c1-10(2)9-14(4)18(16,17)13-7-5-6-12(8-13)11(3)15/h5-8,10H,9H2,1-4H3
InChIKeyZQTXWJIATGKJCS-UHFFFAOYSA-N
XLogP2.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 47204653
3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 60539379
3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43430441
3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384500
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate
CID 62334814
3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 43021359
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840
3-acetyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82715915
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544493
3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide
CID 60707719
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 43272373) is 3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(C)CC(C)C)c1.
What is the InChIKey of 3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is ZQTXWJIATGKJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10(2)9-14(4)18(16,17)13-7-5-6-12(8-13)11(3)15/h5-8,10H,9H2,1-4H3.
What are the key properties of 3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43272373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).