4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide

C16H14ClF3N2O4S — CID 24633180

IUPAC4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1
InChIInChI=1S/C16H14ClF3N2O4S/c1-21-15(23)10-2-5-12(6-3-10)27(24,25)22-13-8-11(17)4-7-14(13)26-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyUNFBUHYNJQUEOE-UHFFFAOYSA-N
MW422.81 g/mol
LogP3.44
Rot. Bonds6

About 4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide

4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide (PubChem CID 24633180) has the molecular formula C16H14ClF3N2O4S and a molecular weight of 422.81 g/mol. Its IUPAC name is 4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide
PubChem CID24633180
Molecular FormulaC16H14ClF3N2O4S
Molecular Weight422.81 g/mol
Exact Mass422.03
IUPAC Name4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1
InChIInChI=1S/C16H14ClF3N2O4S/c1-21-15(23)10-2-5-12(6-3-10)27(24,25)22-13-8-11(17)4-7-14(13)26-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyUNFBUHYNJQUEOE-UHFFFAOYSA-N
XLogP3.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.81
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 37175902
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 24656665
4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid
CID 177311375
4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide
CID 47516564
1-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 24656677
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56540594
N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169373372
4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 138753377
5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 154968259
4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169371323

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide?
The IUPAC name of 4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide (CID 24633180) is 4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide?
The canonical SMILES for 4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide is CNC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1.
What is the InChIKey of 4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide?
The InChIKey is UNFBUHYNJQUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O4S/c1-21-15(23)10-2-5-12(6-3-10)27(24,25)22-13-8-11(17)4-7-14(13)26-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23).
What are the key properties of 4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide?
4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide has a molecular weight of 422.81 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 24633180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).