N-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide

C21H21FN2O2S — CID 132553348

IUPACN-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](CN(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2S/c1-27(25,26)23-21(17-12-14-18(22)15-13-17)16-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,21,23H,16H2,1H3/t21-/m0/s1
InChIKeyYKCWDNDGZSAZIL-NRFANRHFSA-N
MW384.48 g/mol
LogP4.25
Rot. Bonds7

About N-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide

N-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide (PubChem CID 132553348) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide
PubChem CID132553348
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](CN(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2S/c1-27(25,26)23-21(17-12-14-18(22)15-13-17)16-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,21,23H,16H2,1H3/t21-/m0/s1
InChIKeyYKCWDNDGZSAZIL-NRFANRHFSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]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-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide (CID 132553348) is N-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide is CS(=O)(=O)N[C@@H](CN(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide?
The InChIKey is YKCWDNDGZSAZIL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-27(25,26)23-21(17-12-14-18(22)15-13-17)16-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,21,23H,16H2,1H3/t21-/m0/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide?
N-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-(N-phenylanilino)ethyl]methanesulfonamide is sourced from PubChem (CID 132553348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).