2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

C18H17ClF4N2O3S — CID 2548931

IUPAC2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H17ClF4N2O3S/c1-2-25(11-17(26)24-10-12-3-6-14(20)7-4-12)29(27,28)16-8-5-13(19)9-15(16)18(21,22)23/h3-9H,2,10-11H2,1H3,(H,24,26)
InChIKeyMIMBEFXPHRNRHM-UHFFFAOYSA-N
MW452.86 g/mol
LogP3.82
Rot. Bonds7

About 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2548931) has the molecular formula C18H17ClF4N2O3S and a molecular weight of 452.86 g/mol. Its IUPAC name is 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2548931
Molecular FormulaC18H17ClF4N2O3S
Molecular Weight452.86 g/mol
Exact Mass452.06
IUPAC Name2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H17ClF4N2O3S/c1-2-25(11-17(26)24-10-12-3-6-14(20)7-4-12)29(27,28)16-8-5-13(19)9-15(16)18(21,22)23/h3-9H,2,10-11H2,1H3,(H,24,26)
InChIKeyMIMBEFXPHRNRHM-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.86
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 7937672
2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7937663
2-[(4-bromo-2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 30328734
2-[2-(4-chlorophenyl)ethenylsulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 78665232
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4816152
2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7937660
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28545720
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28546581
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529902
3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 55792417
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 8815729
2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2522121

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 2548931) is 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is MIMBEFXPHRNRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF4N2O3S/c1-2-25(11-17(26)24-10-12-3-6-14(20)7-4-12)29(27,28)16-8-5-13(19)9-15(16)18(21,22)23/h3-9H,2,10-11H2,1H3,(H,24,26).
What are the key properties of 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 452.86 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2548931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).