N-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide

C23H23FN2O2S — CID 164786106

IUPACN-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide
SMILESNCCN(CC=C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2S/c24-21-11-13-22(14-12-21)29(27,28)26(18-16-25)17-15-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H,16-18,25H2
InChIKeyZTUDRQVGYXZSDA-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.91
Rot. Bonds8

About N-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide

N-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide (PubChem CID 164786106) has the molecular formula C23H23FN2O2S and a molecular weight of 410.51 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide
PubChem CID164786106
Molecular FormulaC23H23FN2O2S
Molecular Weight410.51 g/mol
Exact Mass410.15
IUPAC NameN-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide
SMILESNCCN(CC=C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O2S/c24-21-11-13-22(14-12-21)29(27,28)26(18-16-25)17-15-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H,16-18,25H2
InChIKeyZTUDRQVGYXZSDA-UHFFFAOYSA-N
XLogP3.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide (CID 164786106) is N-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide is NCCN(CC=C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide?
The InChIKey is ZTUDRQVGYXZSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2S/c24-21-11-13-22(14-12-21)29(27,28)26(18-16-25)17-15-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H,16-18,25H2.
What are the key properties of N-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide?
N-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide has a molecular weight of 410.51 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(3,3-diphenylprop-2-enyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 164786106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).