4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C12H15FN2O3S — CID 900413

IUPAC4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C12H15FN2O3S/c13-10-3-5-11(6-4-10)19(17,18)14-9-12(16)15-7-1-2-8-15/h3-6,14H,1-2,7-9H2
InChIKeyZKTPJKZATUUCSI-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.73
Rot. Bonds4

About 4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 900413) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID900413
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C12H15FN2O3S/c13-10-3-5-11(6-4-10)19(17,18)14-9-12(16)15-7-1-2-8-15/h3-6,14H,1-2,7-9H2
InChIKeyZKTPJKZATUUCSI-UHFFFAOYSA-N
XLogP0.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 900413) is 4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is ZKTPJKZATUUCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c13-10-3-5-11(6-4-10)19(17,18)14-9-12(16)15-7-1-2-8-15/h3-6,14H,1-2,7-9H2.
What are the key properties of 4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 286.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 900413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).