2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide

C11H9F3N2O3S — CID 96694920

IUPAC2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESN#CCS(=O)(=O)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N2O3S/c12-11(13,14)8-3-1-2-4-9(8)16-10(17)7-20(18,19)6-5-15/h1-4H,6-7H2,(H,16,17)
InChIKeyKAWAHTLGNXKSMM-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.58
Rot. Bonds4

About 2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 96694920) has the molecular formula C11H9F3N2O3S and a molecular weight of 306.27 g/mol. Its IUPAC name is 2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID96694920
Molecular FormulaC11H9F3N2O3S
Molecular Weight306.27 g/mol
Exact Mass306.03
IUPAC Name2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESN#CCS(=O)(=O)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N2O3S/c12-11(13,14)8-3-1-2-4-9(8)16-10(17)7-20(18,19)6-5-15/h1-4H,6-7H2,(H,16,17)
InChIKeyKAWAHTLGNXKSMM-UHFFFAOYSA-N
XLogP1.58
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-cyanoacetyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
CID 3539106
1-(2-cyanoethyl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 61314609
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide
CID 96694943
2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78889854
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-isoquinolin-2-ium-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4130643
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide
CID 91759481
N-(2-cyanoethyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 34691947
2-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110696997

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 96694920) is 2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide is N#CCS(=O)(=O)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KAWAHTLGNXKSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3S/c12-11(13,14)8-3-1-2-4-9(8)16-10(17)7-20(18,19)6-5-15/h1-4H,6-7H2,(H,16,17).
What are the key properties of 2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 306.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 96694920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).