4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide

C20H20FNO4S3 — CID 50753608

IUPAC4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H20FNO4S3/c1-2-15-5-11-18(12-6-15)29(25,26)22-14-19(16-7-9-17(21)10-8-16)28(23,24)20-4-3-13-27-20/h3-13,19,22H,2,14H2,1H3
InChIKeyCFJDVIUQWDGBLM-UHFFFAOYSA-N
MW453.58 g/mol
LogP3.94
Rot. Bonds8

About 4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide

4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide (PubChem CID 50753608) has the molecular formula C20H20FNO4S3 and a molecular weight of 453.58 g/mol. Its IUPAC name is 4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
PubChem CID50753608
Molecular FormulaC20H20FNO4S3
Molecular Weight453.58 g/mol
Exact Mass453.05
IUPAC Name4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H20FNO4S3/c1-2-15-5-11-18(12-6-15)29(25,26)22-14-19(16-7-9-17(21)10-8-16)28(23,24)20-4-3-13-27-20/h3-13,19,22H,2,14H2,1H3
InChIKeyCFJDVIUQWDGBLM-UHFFFAOYSA-N
XLogP3.94
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide
CID 51449246
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide
CID 44649354
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide
CID 44649356
3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51449272
4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662803
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 50753525
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 51662831
4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 44648994
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51662837
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 51449275
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide
CID 44649372
3,4-dimethoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51453352

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide (CID 50753608) is 4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
The InChIKey is CFJDVIUQWDGBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4S3/c1-2-15-5-11-18(12-6-15)29(25,26)22-14-19(16-7-9-17(21)10-8-16)28(23,24)20-4-3-13-27-20/h3-13,19,22H,2,14H2,1H3.
What are the key properties of 4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide?
4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide has a molecular weight of 453.58 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 50753608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).