N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide

C15H14F3NO2S — CID 32676505

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H14F3NO2S/c1-10(14-7-6-13(17)8-15(14)18)19-22(20,21)9-11-2-4-12(16)5-3-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyGRRHHZBOBZSXSM-JTQLQIEISA-N
MW329.34 g/mol
LogP3.28
Rot. Bonds5

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 32676505) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID32676505
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H14F3NO2S/c1-10(14-7-6-13(17)8-15(14)18)19-22(20,21)9-11-2-4-12(16)5-3-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyGRRHHZBOBZSXSM-JTQLQIEISA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[1-(2,4-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877148
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 51169578
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
4-chloro-N-[1-(2,4-difluorophenyl)ethyl]butane-1-sulfonamide
CID 116815561
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965
1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide
CID 63665787
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
CID 122135317
methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
CID 60715311

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide (CID 32676505) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide is C[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is GRRHHZBOBZSXSM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-10(14-7-6-13(17)8-15(14)18)19-22(20,21)9-11-2-4-12(16)5-3-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 329.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 32676505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).