4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide

C18H15F2NO5S2 — CID 18574144

IUPAC4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H15F2NO5S2/c19-13-3-7-15(8-4-13)27(22,23)18(17-2-1-11-26-17)12-21-28(24,25)16-9-5-14(20)6-10-16/h1-11,18,21H,12H2
InChIKeyVUOJRDAFGBXUAI-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.05
Rot. Bonds7

About 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide

4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 18574144) has the molecular formula C18H15F2NO5S2 and a molecular weight of 427.45 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID18574144
Molecular FormulaC18H15F2NO5S2
Molecular Weight427.45 g/mol
Exact Mass427.04
IUPAC Name4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H15F2NO5S2/c19-13-3-7-15(8-4-13)27(22,23)18(17-2-1-11-26-17)12-21-28(24,25)16-9-5-14(20)6-10-16/h1-11,18,21H,12H2
InChIKeyVUOJRDAFGBXUAI-UHFFFAOYSA-N
XLogP3.05
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]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 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide (CID 18574144) is 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide is O=S(=O)(NCC(c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is VUOJRDAFGBXUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO5S2/c19-13-3-7-15(8-4-13)27(22,23)18(17-2-1-11-26-17)12-21-28(24,25)16-9-5-14(20)6-10-16/h1-11,18,21H,12H2.
What are the key properties of 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 427.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 18574144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).