N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide

C17H18FNO3S — CID 8702322

IUPACN-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESCc1ccc(C)c(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO3S/c1-12-3-4-13(2)16(11-12)19-17(20)9-10-23(21,22)15-7-5-14(18)6-8-15/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyCGXFDWBCVCPDPX-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.25
Rot. Bonds5

About N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide

N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 8702322) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
PubChem CID8702322
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESCc1ccc(C)c(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO3S/c1-12-3-4-13(2)16(11-12)19-17(20)9-10-23(21,22)15-7-5-14(18)6-8-15/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyCGXFDWBCVCPDPX-UHFFFAOYSA-N
XLogP3.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101953
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide
CID 2966880
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
CID 9034202
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide
CID 44994815
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254358
N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101952
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
3-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpropanamide
CID 7254373

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide (CID 8702322) is N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide is Cc1ccc(C)c(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is CGXFDWBCVCPDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-12-3-4-13(2)16(11-12)19-17(20)9-10-23(21,22)15-7-5-14(18)6-8-15/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide?
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 335.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 8702322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).