2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide

C11H13FN2O3S — CID 165441075

IUPAC2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C2CCC(=O)N2)ccc1F
InChIInChI=1S/C11H13FN2O3S/c1-13-18(16,17)10-6-7(2-3-8(10)12)9-4-5-11(15)14-9/h2-3,6,9,13H,4-5H2,1H3,(H,14,15)
InChIKeyVPNUIXQUIOOHFZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.68
Rot. Bonds3

About 2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide

2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide (PubChem CID 165441075) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide
PubChem CID165441075
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C2CCC(=O)N2)ccc1F
InChIInChI=1S/C11H13FN2O3S/c1-13-18(16,17)10-6-7(2-3-8(10)12)9-4-5-11(15)14-9/h2-3,6,9,13H,4-5H2,1H3,(H,14,15)
InChIKeyVPNUIXQUIOOHFZ-UHFFFAOYSA-N
XLogP0.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide (CID 165441075) is 2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide is CNS(=O)(=O)c1cc(C2CCC(=O)N2)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide?
The InChIKey is VPNUIXQUIOOHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c1-13-18(16,17)10-6-7(2-3-8(10)12)9-4-5-11(15)14-9/h2-3,6,9,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide?
2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide has a molecular weight of 272.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 165441075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).