N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide

C25H22FN3O2S — CID 66829372

IUPACN-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C25H22FN3O2S/c1-32(30,31)29-23-8-2-5-18(13-23)25-15-22(26)10-9-19(25)14-24(20-6-3-11-27-16-20)21-7-4-12-28-17-21/h2-13,15-17,24,29H,14H2,1H3
InChIKeyVABFAANGVSTHRS-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.03
Rot. Bonds7

About N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide

N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide (PubChem CID 66829372) has the molecular formula C25H22FN3O2S and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide
PubChem CID66829372
Molecular FormulaC25H22FN3O2S
Molecular Weight447.54 g/mol
Exact Mass447.14
IUPAC NameN-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C25H22FN3O2S/c1-32(30,31)29-23-8-2-5-18(13-23)25-15-22(26)10-9-19(25)14-24(20-6-3-11-27-16-20)21-7-4-12-28-17-21/h2-13,15-17,24,29H,14H2,1H3
InChIKeyVABFAANGVSTHRS-UHFFFAOYSA-N
XLogP5.03
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide 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-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide (CID 66829372) is N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)c1.
What is the InChIKey of N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide?
The InChIKey is VABFAANGVSTHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2S/c1-32(30,31)29-23-8-2-5-18(13-23)25-15-22(26)10-9-19(25)14-24(20-6-3-11-27-16-20)21-7-4-12-28-17-21/h2-13,15-17,24,29H,14H2,1H3.
What are the key properties of N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide?
N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide has a molecular weight of 447.54 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 66829372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).