1-(benzenesulfonyl)-2H-pyrrol-5-one

C10H9NO3S — CID 86181098

IUPAC1-(benzenesulfonyl)-2H-pyrrol-5-one
SMILESO=C1C=CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H9NO3S/c12-10-7-4-8-11(10)15(13,14)9-5-2-1-3-6-9/h1-7H,8H2
InChIKeyKICMWSXXHUJVQK-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.77
Rot. Bonds2

About 1-(benzenesulfonyl)-2H-pyrrol-5-one

1-(benzenesulfonyl)-2H-pyrrol-5-one (PubChem CID 86181098) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2H-pyrrol-5-one
PubChem CID86181098
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name1-(benzenesulfonyl)-2H-pyrrol-5-one
SMILESO=C1C=CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H9NO3S/c12-10-7-4-8-11(10)15(13,14)9-5-2-1-3-6-9/h1-7H,8H2
InChIKeyKICMWSXXHUJVQK-UHFFFAOYSA-N
XLogP0.77
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(benzenesulfonyl)-2H-pyrrol-5-one (CID 86181098) is 1-(benzenesulfonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(benzenesulfonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(benzenesulfonyl)-2H-pyrrol-5-one is O=C1C=CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2H-pyrrol-5-one?
The InChIKey is KICMWSXXHUJVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c12-10-7-4-8-11(10)15(13,14)9-5-2-1-3-6-9/h1-7H,8H2.
What are the key properties of 1-(benzenesulfonyl)-2H-pyrrol-5-one?
1-(benzenesulfonyl)-2H-pyrrol-5-one has a molecular weight of 223.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 86181098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).