N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide

C17H17F2NO3S2 — CID 8701315

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C17H17F2NO3S2/c1-12-2-8-15(9-3-12)25(22,23)11-10-16(21)20-13-4-6-14(7-5-13)24-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyZNTKVYWMZOKFKP-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.11
Rot. Bonds7

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

N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 8701315) has the molecular formula C17H17F2NO3S2 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID8701315
Molecular FormulaC17H17F2NO3S2
Molecular Weight385.46 g/mol
Exact Mass385.06
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C17H17F2NO3S2/c1-12-2-8-15(9-3-12)25(22,23)11-10-16(21)20-13-4-6-14(7-5-13)24-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyZNTKVYWMZOKFKP-UHFFFAOYSA-N
XLogP4.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzenesulfonamide
CID 1051878
3-(4-methylphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55359512
N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 41273496
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide (CID 8701315) is N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(SC(F)F)cc2)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is ZNTKVYWMZOKFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3S2/c1-12-2-8-15(9-3-12)25(22,23)11-10-16(21)20-13-4-6-14(7-5-13)24-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 385.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 8701315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).