4-(benzenesulfonyl)azetidin-2-one

C9H9NO3S — CID 4589027

IUPAC4-(benzenesulfonyl)azetidin-2-one
SMILESO=C1CC(S(=O)(=O)c2ccccc2)N1
InChIInChI=1S/C9H9NO3S/c11-8-6-9(10-8)14(12,13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyHTSFUAPDRXCYDV-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.31
Rot. Bonds2

About 4-(benzenesulfonyl)azetidin-2-one

4-(benzenesulfonyl)azetidin-2-one (PubChem CID 4589027) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-(benzenesulfonyl)azetidin-2-one.

Molecular Properties

Compound Name4-(benzenesulfonyl)azetidin-2-one
PubChem CID4589027
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name4-(benzenesulfonyl)azetidin-2-one
SMILESO=C1CC(S(=O)(=O)c2ccccc2)N1
InChIInChI=1S/C9H9NO3S/c11-8-6-9(10-8)14(12,13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyHTSFUAPDRXCYDV-UHFFFAOYSA-N
XLogP0.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)azetidin-2-one?
The IUPAC name of 4-(benzenesulfonyl)azetidin-2-one (CID 4589027) is 4-(benzenesulfonyl)azetidin-2-one.
What is the SMILES notation for 4-(benzenesulfonyl)azetidin-2-one?
The canonical SMILES for 4-(benzenesulfonyl)azetidin-2-one is O=C1CC(S(=O)(=O)c2ccccc2)N1.
What is the InChIKey of 4-(benzenesulfonyl)azetidin-2-one?
The InChIKey is HTSFUAPDRXCYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S/c11-8-6-9(10-8)14(12,13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11).
What are the key properties of 4-(benzenesulfonyl)azetidin-2-one?
4-(benzenesulfonyl)azetidin-2-one has a molecular weight of 211.24 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)azetidin-2-one is sourced from PubChem (CID 4589027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).