N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide

C17H16ClF4N3O3S — CID 92664037

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H16ClF4N3O3S/c1-24(2)29(27,28)25(13-6-4-12(19)5-7-13)10-16(26)23-15-9-11(17(20,21)22)3-8-14(15)18/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyNRNLDSZBMKNQLC-UHFFFAOYSA-N
MW453.85 g/mol
LogP3.75
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide (PubChem CID 92664037) has the molecular formula C17H16ClF4N3O3S and a molecular weight of 453.85 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
PubChem CID92664037
Molecular FormulaC17H16ClF4N3O3S
Molecular Weight453.85 g/mol
Exact Mass453.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H16ClF4N3O3S/c1-24(2)29(27,28)25(13-6-4-12(19)5-7-13)10-16(26)23-15-9-11(17(20,21)22)3-8-14(15)18/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyNRNLDSZBMKNQLC-UHFFFAOYSA-N
XLogP3.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.85
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 126132614
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45375126
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30268924
N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 53283214
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147795
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126141625
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8711935
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126152377
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126062976
N-(3,4-difluorophenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 53283271
2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15991423

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide (CID 92664037) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide is CN(C)S(=O)(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The InChIKey is NRNLDSZBMKNQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF4N3O3S/c1-24(2)29(27,28)25(13-6-4-12(19)5-7-13)10-16(26)23-15-9-11(17(20,21)22)3-8-14(15)18/h3-9H,10H2,1-2H3,(H,23,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide has a molecular weight of 453.85 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide is sourced from PubChem (CID 92664037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).