N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide

C11H12ClF3N2O3S — CID 71859695

IUPACN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)NC(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O3S/c1-16-21(19,20)6-9(18)17-10(11(13,14)15)7-2-4-8(12)5-3-7/h2-5,10,16H,6H2,1H3,(H,17,18)
InChIKeyUHHGEZWWROJIDQ-UHFFFAOYSA-N
MW344.74 g/mol
LogP1.61
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide

N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide (PubChem CID 71859695) has the molecular formula C11H12ClF3N2O3S and a molecular weight of 344.74 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide
PubChem CID71859695
Molecular FormulaC11H12ClF3N2O3S
Molecular Weight344.74 g/mol
Exact Mass344.02
IUPAC NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)NC(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O3S/c1-16-21(19,20)6-9(18)17-10(11(13,14)15)7-2-4-8(12)5-3-7/h2-5,10,16H,6H2,1H3,(H,17,18)
InChIKeyUHHGEZWWROJIDQ-UHFFFAOYSA-N
XLogP1.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.74
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(4-chlorophenyl)-3,3-dimethylbutan-2-yl]-2-(methylsulfamoyl)acetamide
CID 97222354
N-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]acetamide
CID 67575764
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
CID 96958726
(2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99698023
2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid
CID 43361907
N-[(1S)-1-[4-(4-chlorophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 58651376
N-[1-[4-(4-chlorophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 21035256
4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide
CID 52652867
2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 97347801
2,2,2-trifluoroethyl N-[1-(4-chlorophenyl)ethyl]carbamate
CID 65173896
2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide
CID 154309569
1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane
CID 172614909

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide (CID 71859695) is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide is CNS(=O)(=O)CC(=O)NC(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide?
The InChIKey is UHHGEZWWROJIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O3S/c1-16-21(19,20)6-9(18)17-10(11(13,14)15)7-2-4-8(12)5-3-7/h2-5,10,16H,6H2,1H3,(H,17,18).
What are the key properties of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide?
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide has a molecular weight of 344.74 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-2-(methylsulfamoyl)acetamide is sourced from PubChem (CID 71859695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).