4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide

C14H21NO3S — CID 43274837

IUPAC4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-5-11(3)15(6-2)19(17,18)14-9-7-13(8-10-14)12(4)16/h7-11H,5-6H2,1-4H3
InChIKeyALNPTXCJSDIXFK-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.70
Rot. Bonds6

About 4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide

4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide (PubChem CID 43274837) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide
PubChem CID43274837
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-5-11(3)15(6-2)19(17,18)14-9-7-13(8-10-14)12(4)16/h7-11H,5-6H2,1-4H3
InChIKeyALNPTXCJSDIXFK-UHFFFAOYSA-N
XLogP2.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103189656
4-[butan-2-yl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791315
3-[(4-carbamoylphenyl)sulfonyl-ethylamino]butanoic acid
CID 62826009
3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide
CID 60707719
2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid
CID 60828470
3-[butan-2-yl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43274740
N-butan-2-yl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 112517569
(2S)-2-[ethyl-(4-methylphenyl)sulfonylamino]propanoic acid
CID 67639025
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
3-amino-4-bromo-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 113288288
N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43453699
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 55584143

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide (CID 43274837) is 4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide is CCC(C)N(CC)S(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide?
The InChIKey is ALNPTXCJSDIXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-5-11(3)15(6-2)19(17,18)14-9-7-13(8-10-14)12(4)16/h7-11H,5-6H2,1-4H3.
What are the key properties of 4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide?
4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide is sourced from PubChem (CID 43274837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).