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

C14H19FN2O3S — CID 2985941

IUPACN-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3S/c1-2-17(11-14(18)16-9-3-4-10-16)21(19,20)13-7-5-12(15)6-8-13/h5-8H,2-4,9-11H2,1H3
InChIKeyVKVZNZBEAHHDMW-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.46
Rot. Bonds5

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

N-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 2985941) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID2985941
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3S/c1-2-17(11-14(18)16-9-3-4-10-16)21(19,20)13-7-5-12(15)6-8-13/h5-8H,2-4,9-11H2,1H3
InChIKeyVKVZNZBEAHHDMW-UHFFFAOYSA-N
XLogP1.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 2985941) is N-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is CCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is VKVZNZBEAHHDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-2-17(11-14(18)16-9-3-4-10-16)21(19,20)13-7-5-12(15)6-8-13/h5-8H,2-4,9-11H2,1H3.
What are the key properties of N-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
N-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 314.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2985941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).