3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide

C13H19NO4S — CID 62732947

IUPAC3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C13H19NO4S/c1-10(7-8-18-3)14-19(16,17)13-6-4-5-12(9-13)11(2)15/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyLRMDMVJQSQQCFP-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.59
Rot. Bonds7

About 3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide

3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 62732947) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
PubChem CID62732947
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C13H19NO4S/c1-10(7-8-18-3)14-19(16,17)13-6-4-5-12(9-13)11(2)15/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyLRMDMVJQSQQCFP-UHFFFAOYSA-N
XLogP1.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-hexan-2-ylbenzenesulfonamide
CID 62200637
3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 16768421
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
(2R)-2-[(3-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29276801
N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide
CID 109062983
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850
3-acetyl-N-hexan-3-ylbenzenesulfonamide
CID 55031108
N-pentan-2-yl-3-propanoylbenzenesulfonamide
CID 60872867
2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43080124
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide (CID 62732947) is 3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide is COCCC(C)NS(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is LRMDMVJQSQQCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10(7-8-18-3)14-19(16,17)13-6-4-5-12(9-13)11(2)15/h4-6,9-10,14H,7-8H2,1-3H3.
What are the key properties of 3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide?
3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 62732947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).