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

C20H23FN2O4S — CID 1289498

IUPACN-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-2-27-18-9-7-17(8-10-18)23(15-20(24)22-13-3-4-14-22)28(25,26)19-11-5-16(21)6-12-19/h5-12H,2-4,13-15H2,1H3
InChIKeyWBCCRZYTEJRMRA-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.04
Rot. Bonds7

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

N-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 1289498) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID1289498
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-2-27-18-9-7-17(8-10-18)23(15-20(24)22-13-3-4-14-22)28(25,26)19-11-5-16(21)6-12-19/h5-12H,2-4,13-15H2,1H3
InChIKeyWBCCRZYTEJRMRA-UHFFFAOYSA-N
XLogP3.04
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 1289498) is N-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is WBCCRZYTEJRMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-2-27-18-9-7-17(8-10-18)23(15-20(24)22-13-3-4-14-22)28(25,26)19-11-5-16(21)6-12-19/h5-12H,2-4,13-15H2,1H3.
What are the key properties of N-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
N-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 406.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-fluoro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1289498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).