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

C21H17ClFNO3S — CID 110165955

IUPACN-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)C(Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H17ClFNO3S/c22-17-8-12-19(13-9-17)28(26,27)24-21(25)20(16-4-2-1-3-5-16)14-15-6-10-18(23)11-7-15/h1-13,20H,14H2,(H,24,25)
InChIKeyHNOXKJHQEQTLOS-UHFFFAOYSA-N
MW417.89 g/mol
LogP4.31
Rot. Bonds6

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

N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide (PubChem CID 110165955) has the molecular formula C21H17ClFNO3S and a molecular weight of 417.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
PubChem CID110165955
Molecular FormulaC21H17ClFNO3S
Molecular Weight417.89 g/mol
Exact Mass417.06
IUPAC NameN-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)C(Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H17ClFNO3S/c22-17-8-12-19(13-9-17)28(26,27)24-21(25)20(16-4-2-1-3-5-16)14-15-6-10-18(23)11-7-15/h1-13,20H,14H2,(H,24,25)
InChIKeyHNOXKJHQEQTLOS-UHFFFAOYSA-N
XLogP4.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 54.31
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
(2S)-3-(4-fluorophenyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 129453548
N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
CID 110166037
2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide
CID 166322960
N-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 56673721
(2R)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540829
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
(2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide
CID 92842730
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
CID 68510403
CID 68510403

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide (CID 110165955) is N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)C(Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide?
The InChIKey is HNOXKJHQEQTLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO3S/c22-17-8-12-19(13-9-17)28(26,27)24-21(25)20(16-4-2-1-3-5-16)14-15-6-10-18(23)11-7-15/h1-13,20H,14H2,(H,24,25).
What are the key properties of N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide?
N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide has a molecular weight of 417.89 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide is sourced from PubChem (CID 110165955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).