1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one

C11H13NO4S — CID 736863

IUPAC1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)CO)cc1
InChIInChI=1S/C11H13NO4S/c13-8-17(15,16)10-5-3-9(4-6-10)12-7-1-2-11(12)14/h3-6,13H,1-2,7-8H2
InChIKeyQVPFJAJCCKCOSP-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.54
Rot. Bonds3

About 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one

1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one (PubChem CID 736863) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
PubChem CID736863
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)CO)cc1
InChIInChI=1S/C11H13NO4S/c13-8-17(15,16)10-5-3-9(4-6-10)12-7-1-2-11(12)14/h3-6,13H,1-2,7-8H2
InChIKeyQVPFJAJCCKCOSP-UHFFFAOYSA-N
XLogP0.54
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2249244
1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 128977330
1-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrrolidin-2-one
CID 144718522
(2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid
CID 2231639
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 9292872
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 39862925
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 100579283
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one (CID 736863) is 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(S(=O)(=O)CO)cc1.
What is the InChIKey of 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one?
The InChIKey is QVPFJAJCCKCOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c13-8-17(15,16)10-5-3-9(4-6-10)12-7-1-2-11(12)14/h3-6,13H,1-2,7-8H2.
What are the key properties of 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one?
1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one has a molecular weight of 255.29 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 736863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).