N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide

C17H17F2NO5S2 — CID 55340437

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H17F2NO5S2/c1-12-6-8-13(9-7-12)26(22,23)11-10-16(21)20-14-4-2-3-5-15(14)27(24,25)17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyFTFNIOMHNWDJKH-UHFFFAOYSA-N
MW417.46 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide

N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 55340437) has the molecular formula C17H17F2NO5S2 and a molecular weight of 417.46 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID55340437
Molecular FormulaC17H17F2NO5S2
Molecular Weight417.46 g/mol
Exact Mass417.05
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H17F2NO5S2/c1-12-6-8-13(9-7-12)26(22,23)11-10-16(21)20-14-4-2-3-5-15(14)27(24,25)17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyFTFNIOMHNWDJKH-UHFFFAOYSA-N
XLogP2.79
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide 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

N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4547649
N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
CID 43232974
3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 26727449
N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide
CID 60703571
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071
3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 25161687
N-[(2S)-butan-2-yl]-2-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 39996049
N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide
CID 115593870
3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 60843539
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 9431656
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide (CID 55340437) is N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is FTFNIOMHNWDJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO5S2/c1-12-6-8-13(9-7-12)26(22,23)11-10-16(21)20-14-4-2-3-5-15(14)27(24,25)17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 417.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 55340437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).