2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide

C17H17F4N3O3S — CID 46771829

IUPAC2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C17H17F4N3O3S/c1-23(2)28(26,27)24(15-6-4-3-5-14(15)18)11-16(25)22-13-9-7-12(8-10-13)17(19,20)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyFCUPJEYWOQQWBH-UHFFFAOYSA-N
MW419.40 g/mol
LogP3.10
Rot. Bonds6

About 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 46771829) has the molecular formula C17H17F4N3O3S and a molecular weight of 419.40 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID46771829
Molecular FormulaC17H17F4N3O3S
Molecular Weight419.40 g/mol
Exact Mass419.09
IUPAC Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C17H17F4N3O3S/c1-23(2)28(26,27)24(15-6-4-3-5-14(15)18)11-16(25)22-13-9-7-12(8-10-13)17(19,20)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyFCUPJEYWOQQWBH-UHFFFAOYSA-N
XLogP3.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15991423
N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 53283595
N-[4-(diethylaminomethyl)phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909013
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 99951086
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92685375
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53283554
N-(1,3-benzodioxol-5-yl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909035
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 99955420
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 46771539
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 38004489
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126255214
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 28634237

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 46771829) is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide is CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1F.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FCUPJEYWOQQWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O3S/c1-23(2)28(26,27)24(15-6-4-3-5-14(15)18)11-16(25)22-13-9-7-12(8-10-13)17(19,20)21/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 419.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46771829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).