4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide

C15H21NO4S — CID 115563563

IUPAC4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C15H21NO4S/c1-11(17)12-4-6-14(7-5-12)21(18,19)16-13-8-9-20-15(2,3)10-13/h4-7,13,16H,8-10H2,1-3H3
InChIKeyTVCUEYNPZGUSFW-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.13
Rot. Bonds4

About 4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide

4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide (PubChem CID 115563563) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
PubChem CID115563563
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C15H21NO4S/c1-11(17)12-4-6-14(7-5-12)21(18,19)16-13-8-9-20-15(2,3)10-13/h4-7,13,16H,8-10H2,1-3H3
InChIKeyTVCUEYNPZGUSFW-UHFFFAOYSA-N
XLogP2.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 83035231
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
CID 83035482
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone
CID 114468372
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
CID 83026925
1-N-butyl-4-N-(2,2-dimethyloxan-4-yl)benzene-1,4-disulfonamide
CID 4617022
N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 648544
N-[(4S)-2,2-dimethyloxan-4-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 1459677
4-[(2,2-dimethyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 83028070
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 113336491

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide (CID 115563563) is 4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1.
What is the InChIKey of 4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide?
The InChIKey is TVCUEYNPZGUSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11(17)12-4-6-14(7-5-12)21(18,19)16-13-8-9-20-15(2,3)10-13/h4-7,13,16H,8-10H2,1-3H3.
What are the key properties of 4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide?
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 115563563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).