3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide

C16H16FNO3S — CID 18195960

IUPAC3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO3S/c1-22(20,21)15-9-7-14(8-10-15)18-16(19)11-4-12-2-5-13(17)6-3-12/h2-3,5-10H,4,11H2,1H3,(H,18,19)
InChIKeyDUCNMTZZGFJUTC-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.80
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide

3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide (PubChem CID 18195960) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
PubChem CID18195960
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO3S/c1-22(20,21)15-9-7-14(8-10-15)18-16(19)11-4-12-2-5-13(17)6-3-12/h2-3,5-10H,4,11H2,1H3,(H,18,19)
InChIKeyDUCNMTZZGFJUTC-UHFFFAOYSA-N
XLogP2.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 18096269
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
3-(4-fluorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622806
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38167098
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
3-[4-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 119252165
N,3-bis(4-methylphenyl)propanamide
CID 19220434
5-(4-methylsulfonylanilino)-5-oxopentanoic acid
CID 43397158
N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46518240

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide (CID 18195960) is 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide is CS(=O)(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide?
The InChIKey is DUCNMTZZGFJUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-22(20,21)15-9-7-14(8-10-15)18-16(19)11-4-12-2-5-13(17)6-3-12/h2-3,5-10H,4,11H2,1H3,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide?
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide has a molecular weight of 321.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 18195960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).