2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C17H16F4N2O3S — CID 18080138

IUPAC2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H16F4N2O3S/c1-2-23(27(25,26)15-10-6-4-8-13(15)18)11-16(24)22-14-9-5-3-7-12(14)17(19,20)21/h3-10H,2,11H2,1H3,(H,22,24)
InChIKeyLQKWTXGGQKYNEY-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.49
Rot. Bonds6

About 2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 18080138) has the molecular formula C17H16F4N2O3S and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID18080138
Molecular FormulaC17H16F4N2O3S
Molecular Weight404.39 g/mol
Exact Mass404.08
IUPAC Name2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H16F4N2O3S/c1-2-23(27(25,26)15-10-6-4-8-13(15)18)11-16(24)22-14-9-5-3-7-12(14)17(19,20)21/h3-10H,2,11H2,1H3,(H,22,24)
InChIKeyLQKWTXGGQKYNEY-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30329088
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2980569
2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 47091101
2-[2-methylpropyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113148570
2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 37496925
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2222415
methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate
CID 61384024
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9030856
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 78787053
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1334909
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 18080138) is 2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LQKWTXGGQKYNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O3S/c1-2-23(27(25,26)15-10-6-4-8-13(15)18)11-16(24)22-14-9-5-3-7-12(14)17(19,20)21/h3-10H,2,11H2,1H3,(H,22,24).
What are the key properties of 2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 404.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18080138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).