3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide

C22H20FNO5S2 — CID 110166005

IUPAC3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)C(Cc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20FNO5S2/c1-30(26,27)19-11-13-20(14-12-19)31(28,29)24-22(25)21(17-5-3-2-4-6-17)15-16-7-9-18(23)10-8-16/h2-14,21H,15H2,1H3,(H,24,25)
InChIKeyHVJIJJFLDWUALA-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.06
Rot. Bonds7

About 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide

3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide (PubChem CID 110166005) has the molecular formula C22H20FNO5S2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide
PubChem CID110166005
Molecular FormulaC22H20FNO5S2
Molecular Weight461.54 g/mol
Exact Mass461.08
IUPAC Name3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)C(Cc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20FNO5S2/c1-30(26,27)19-11-13-20(14-12-19)31(28,29)24-22(25)21(17-5-3-2-4-6-17)15-16-7-9-18(23)10-8-16/h2-14,21H,15H2,1H3,(H,24,25)
InChIKeyHVJIJJFLDWUALA-UHFFFAOYSA-N
XLogP3.06
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
CID 110165955
(2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 129453548
N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
CID 110166037
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine
CID 63199908
N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
CID 57378617
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 28540532
3-(4-fluorophenyl)-N-(7-methyl-1,3-benzoxazol-2-yl)-2-(4-methylsulfonylphenyl)propanamide
CID 57378963
N-(6-fluoro-1,3-benzoxazol-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
CID 57378967
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide (CID 110166005) is 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide is CS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)C(Cc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide?
The InChIKey is HVJIJJFLDWUALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5S2/c1-30(26,27)19-11-13-20(14-12-19)31(28,29)24-22(25)21(17-5-3-2-4-6-17)15-16-7-9-18(23)10-8-16/h2-14,21H,15H2,1H3,(H,24,25).
What are the key properties of 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide?
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide has a molecular weight of 461.54 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide is sourced from PubChem (CID 110166005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).