(2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide

C22H17F4NO3S — CID 129453548

IUPAC(2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H](Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H17F4NO3S/c23-18-11-9-15(10-12-18)13-20(16-5-2-1-3-6-16)21(28)27-31(29,30)19-8-4-7-17(14-19)22(24,25)26/h1-12,14,20H,13H2,(H,27,28)/t20-/m0/s1
InChIKeyAZPWGAFDCWVWQP-FQEVSTJZSA-N
MW451.44 g/mol
LogP4.68
Rot. Bonds6

About (2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide

(2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide (PubChem CID 129453548) has the molecular formula C22H17F4NO3S and a molecular weight of 451.44 g/mol. Its IUPAC name is (2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name(2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
PubChem CID129453548
Molecular FormulaC22H17F4NO3S
Molecular Weight451.44 g/mol
Exact Mass451.09
IUPAC Name(2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H](Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H17F4NO3S/c23-18-11-9-15(10-12-18)13-20(16-5-2-1-3-6-16)21(28)27-31(29,30)19-8-4-7-17(14-19)22(24,25)26/h1-12,14,20H,13H2,(H,27,28)/t20-/m0/s1
InChIKeyAZPWGAFDCWVWQP-FQEVSTJZSA-N
XLogP4.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide
CID 110166005
N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
CID 110165955
N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
CID 110166037
N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43012056
N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3312193
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 18286971
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 74226733
(4-fluorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 42965943
(2R)-2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100513182

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The IUPAC name of (2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide (CID 129453548) is (2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for (2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The canonical SMILES for (2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide is O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H](Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
The InChIKey is AZPWGAFDCWVWQP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H17F4NO3S/c23-18-11-9-15(10-12-18)13-20(16-5-2-1-3-6-16)21(28)27-31(29,30)19-8-4-7-17(14-19)22(24,25)26/h1-12,14,20H,13H2,(H,27,28)/t20-/m0/s1.
What are the key properties of (2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide?
(2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide has a molecular weight of 451.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 129453548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).