4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one

C12H15NO4S — CID 70551289

IUPAC4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one
SMILESCC(C)(O)C1C(=O)NC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15NO4S/c1-12(2,15)9-10(14)13-11(9)18(16,17)8-6-4-3-5-7-8/h3-7,9,11,15H,1-2H3,(H,13,14)
InChIKeyQXRMNTCTAFGEIH-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.30
Rot. Bonds3

About 4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one

4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one (PubChem CID 70551289) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one.

Molecular Properties

Compound Name4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one
PubChem CID70551289
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one
SMILESCC(C)(O)C1C(=O)NC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15NO4S/c1-12(2,15)9-10(14)13-11(9)18(16,17)8-6-4-3-5-7-8/h3-7,9,11,15H,1-2H3,(H,13,14)
InChIKeyQXRMNTCTAFGEIH-UHFFFAOYSA-N
XLogP0.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one?
The IUPAC name of 4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one (CID 70551289) is 4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one.
What is the SMILES notation for 4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one?
The canonical SMILES for 4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one is CC(C)(O)C1C(=O)NC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one?
The InChIKey is QXRMNTCTAFGEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-12(2,15)9-10(14)13-11(9)18(16,17)8-6-4-3-5-7-8/h3-7,9,11,15H,1-2H3,(H,13,14).
What are the key properties of 4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one?
4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one has a molecular weight of 269.32 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-3-(2-hydroxypropan-2-yl)azetidin-2-one is sourced from PubChem (CID 70551289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).