N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide

C24H22F3NO4S — CID 127030332

IUPACN-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1OC1CCOCC1)c1cc(F)ccc1F
InChIInChI=1S/C24H22F3NO4S/c25-18-5-8-21(9-6-18)33(29,30)28(23-15-19(26)7-10-22(23)27)16-17-3-1-2-4-24(17)32-20-11-13-31-14-12-20/h1-10,15,20H,11-14,16H2
InChIKeyNMZBOFGYKWSRMA-UHFFFAOYSA-N
MW477.50 g/mol
LogP5.06
Rot. Bonds7

About N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide

N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide (PubChem CID 127030332) has the molecular formula C24H22F3NO4S and a molecular weight of 477.50 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide
PubChem CID127030332
Molecular FormulaC24H22F3NO4S
Molecular Weight477.50 g/mol
Exact Mass477.12
IUPAC NameN-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1OC1CCOCC1)c1cc(F)ccc1F
InChIInChI=1S/C24H22F3NO4S/c25-18-5-8-21(9-6-18)33(29,30)28(23-15-19(26)7-10-22(23)27)16-17-3-1-2-4-24(17)32-20-11-13-31-14-12-20/h1-10,15,20H,11-14,16H2
InChIKeyNMZBOFGYKWSRMA-UHFFFAOYSA-N
XLogP5.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]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 N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide (CID 127030332) is N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1OC1CCOCC1)c1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is NMZBOFGYKWSRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO4S/c25-18-5-8-21(9-6-18)33(29,30)28(23-15-19(26)7-10-22(23)27)16-17-3-1-2-4-24(17)32-20-11-13-31-14-12-20/h1-10,15,20H,11-14,16H2.
What are the key properties of N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide?
N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 477.50 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-fluoro-N-[[2-(oxan-4-yloxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 127030332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).