(4R)-4-(benzenesulfonyl)azetidin-2-one

C9H9NO3S — CID 51374299

IUPAC(4R)-4-(benzenesulfonyl)azetidin-2-one
SMILESO=C1C[C@@H](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)/t9-/m1/s1
InChIKeyHTSFUAPDRXCYDV-SECBINFHSA-N
MW211.24 g/mol
LogP0.31
Rot. Bonds2

About (4R)-4-(benzenesulfonyl)azetidin-2-one

(4R)-4-(benzenesulfonyl)azetidin-2-one (PubChem CID 51374299) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is (4R)-4-(benzenesulfonyl)azetidin-2-one.

Molecular Properties

Compound Name(4R)-4-(benzenesulfonyl)azetidin-2-one
PubChem CID51374299
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name(4R)-4-(benzenesulfonyl)azetidin-2-one
SMILESO=C1C[C@@H](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)/t9-/m1/s1
InChIKeyHTSFUAPDRXCYDV-SECBINFHSA-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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Related Compounds

(4R)-4-(benzenesulfonylmethyl)azetidin-2-one
CID 139898279
3-(benzenesulfonyl)cyclopentan-1-one
CID 64722631
3-(benzenesulfonyl)pyrrolidin-2-one
CID 141214960
cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
CID 99999285
(2R)-5-(benzenesulfonyl)-2-methylcyclohexan-1-one
CID 167093009
2-(benzenesulfonyl)cyclohexan-1-amine
CID 62918222
2-(benzenesulfonyl)cycloheptan-1-amine
CID 62916688
(2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one
CID 101269410
(4-methylcyclohexyl)sulfonylbenzene
CID 10537916
trans-(2R,3S)-2-(benzenesulfonyl)-3-ethylcyclopentan-1-one
CID 11128783
cis-(1R,2S)-2-(benzenesulfonyl)-5-oxocyclohexane-1-carbonitrile
CID 11139961
2-(benzenesulfonyl)cyclohexane-1-carbonitrile
CID 64690352

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(benzenesulfonyl)azetidin-2-one?
The IUPAC name of (4R)-4-(benzenesulfonyl)azetidin-2-one (CID 51374299) is (4R)-4-(benzenesulfonyl)azetidin-2-one.
What is the SMILES notation for (4R)-4-(benzenesulfonyl)azetidin-2-one?
The canonical SMILES for (4R)-4-(benzenesulfonyl)azetidin-2-one is O=C1C[C@@H](S(=O)(=O)c2ccccc2)N1.
What is the InChIKey of (4R)-4-(benzenesulfonyl)azetidin-2-one?
The InChIKey is HTSFUAPDRXCYDV-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of (4R)-4-(benzenesulfonyl)azetidin-2-one?
(4R)-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 (4R)-4-(benzenesulfonyl)azetidin-2-one is sourced from PubChem (CID 51374299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).