4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide

C12H16N2O4S — CID 12792668

IUPAC4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOC2CC(=O)N2)cc1
InChIInChI=1S/C12H16N2O4S/c1-9-2-4-10(5-3-9)19(16,17)13-6-7-18-12-8-11(15)14-12/h2-5,12-13H,6-8H2,1H3,(H,14,15)
InChIKeyRCAPESXEULFLQM-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.14
Rot. Bonds6

About 4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide

4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide (PubChem CID 12792668) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide
PubChem CID12792668
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOC2CC(=O)N2)cc1
InChIInChI=1S/C12H16N2O4S/c1-9-2-4-10(5-3-9)19(16,17)13-6-7-18-12-8-11(15)14-12/h2-5,12-13H,6-8H2,1H3,(H,14,15)
InChIKeyRCAPESXEULFLQM-UHFFFAOYSA-N
XLogP0.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide (CID 12792668) is 4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCOC2CC(=O)N2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide?
The InChIKey is RCAPESXEULFLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-9-2-4-10(5-3-9)19(16,17)13-6-7-18-12-8-11(15)14-12/h2-5,12-13H,6-8H2,1H3,(H,14,15).
What are the key properties of 4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide?
4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide has a molecular weight of 284.34 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-oxoazetidin-2-yl)oxyethyl]benzenesulfonamide is sourced from PubChem (CID 12792668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).