4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide

C11H14N2O3S — CID 1488674

IUPAC4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide
SMILESCC1(C)CN(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C11H14N2O3S/c1-11(2)7-13(10(11)14)8-3-5-9(6-4-8)17(12,15)16/h3-6H,7H2,1-2H3,(H2,12,15,16)
InChIKeyQJKNXJINXTVFGB-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.71
Rot. Bonds2

About 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide

4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide (PubChem CID 1488674) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide
PubChem CID1488674
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide
SMILESCC1(C)CN(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C11H14N2O3S/c1-11(2)7-13(10(11)14)8-3-5-9(6-4-8)17(12,15)16/h3-6H,7H2,1-2H3,(H2,12,15,16)
InChIKeyQJKNXJINXTVFGB-UHFFFAOYSA-N
XLogP0.71
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 163544400
4-(5-oxo-2H-pyrrol-1-yl)benzenesulfonamide
CID 15535306
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 162579127
4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 3049671
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
CID 93181902
4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzenesulfonamide
CID 134114210
CID 159358457
CID 159358457
4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide
CID 70305963
4-[(2R)-2-methyl-3-oxo-5H-1,4-benzoxazepin-4-yl]benzenesulfonamide
CID 97040549
4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide
CID 22997777
4-thiomorpholin-4-ylbenzenesulfonamide
CID 146142612

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide?
The IUPAC name of 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide (CID 1488674) is 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide is CC1(C)CN(c2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide?
The InChIKey is QJKNXJINXTVFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-11(2)7-13(10(11)14)8-3-5-9(6-4-8)17(12,15)16/h3-6H,7H2,1-2H3,(H2,12,15,16).
What are the key properties of 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide?
4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 1488674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).