N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide

C20H16FNO4S2 — CID 132820884

IUPACN-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(/C=C/c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16FNO4S2/c21-18-13-11-17(12-14-18)15-16-22(27(23,24)19-7-3-1-4-8-19)28(25,26)20-9-5-2-6-10-20/h1-16H/b16-15+
InChIKeyLJCNTDTVOODTKG-FOCLMDBBSA-N
MW417.48 g/mol
LogP3.88
Rot. Bonds6

About N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide

N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide (PubChem CID 132820884) has the molecular formula C20H16FNO4S2 and a molecular weight of 417.48 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide
PubChem CID132820884
Molecular FormulaC20H16FNO4S2
Molecular Weight417.48 g/mol
Exact Mass417.05
IUPAC NameN-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(/C=C/c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16FNO4S2/c21-18-13-11-17(12-14-18)15-16-22(27(23,24)19-7-3-1-4-8-19)28(25,26)20-9-5-2-6-10-20/h1-16H/b16-15+
InChIKeyLJCNTDTVOODTKG-FOCLMDBBSA-N
XLogP3.88
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide (CID 132820884) is N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(/C=C/c1ccc(F)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide?
The InChIKey is LJCNTDTVOODTKG-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H16FNO4S2/c21-18-13-11-17(12-14-18)15-16-22(27(23,24)19-7-3-1-4-8-19)28(25,26)20-9-5-2-6-10-20/h1-16H/b16-15+.
What are the key properties of N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide?
N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide has a molecular weight of 417.48 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide is sourced from PubChem (CID 132820884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).