3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide

C17H17FN2O4S — CID 110420356

IUPAC3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O4S/c1-12(21)19-14-6-8-16(9-7-14)25(23,24)11-10-17(22)20-15-4-2-13(18)3-5-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGIEOAJUBCCCVKG-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.59
Rot. Bonds6

About 3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide

3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide (PubChem CID 110420356) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
PubChem CID110420356
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O4S/c1-12(21)19-14-6-8-16(9-7-14)25(23,24)11-10-17(22)20-15-4-2-13(18)3-5-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGIEOAJUBCCCVKG-UHFFFAOYSA-N
XLogP2.59
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide 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-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298461
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 8502565
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 110419509
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143636
3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
CID 110420476
3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide
CID 110406865

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide (CID 110420356) is 3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide?
The InChIKey is GIEOAJUBCCCVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-12(21)19-14-6-8-16(9-7-14)25(23,24)11-10-17(22)20-15-4-2-13(18)3-5-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide?
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide has a molecular weight of 364.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 110420356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).