3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide

C12H16F2N2O3S — CID 60925281

IUPAC3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H16F2N2O3S/c1-16(2)11(17)7-8-15-9-5-3-4-6-10(9)20(18,19)12(13)14/h3-6,12,15H,7-8H2,1-2H3
InChIKeyPJSUACVTGRPWQX-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.57
Rot. Bonds6

About 3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide

3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide (PubChem CID 60925281) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide
PubChem CID60925281
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H16F2N2O3S/c1-16(2)11(17)7-8-15-9-5-3-4-6-10(9)20(18,19)12(13)14/h3-6,12,15H,7-8H2,1-2H3
InChIKeyPJSUACVTGRPWQX-UHFFFAOYSA-N
XLogP1.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide
CID 54934964
N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62641444
3-[2-(difluoromethylsulfonyl)anilino]propan-1-ol
CID 43455403
2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline
CID 54934651
3-(2-ethylanilino)-N,N-dimethylpropanamide
CID 60961204
3-anilino-N,N-dimethylpropanamide
CID 60961994
2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide
CID 133282320
3-[2-(difluoromethylsulfonyl)anilino]-2,2-dimethylpropanoic acid
CID 115427654
N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide
CID 78954690
2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide
CID 106337997
N-(3-chloropentyl)-2-(difluoromethylsulfonyl)aniline
CID 113497856
4-[2-(difluoromethylsulfonyl)anilino]-1-methoxybutan-2-ol
CID 103875676

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide (CID 60925281) is 3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide?
The InChIKey is PJSUACVTGRPWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-16(2)11(17)7-8-15-9-5-3-4-6-10(9)20(18,19)12(13)14/h3-6,12,15H,7-8H2,1-2H3.
What are the key properties of 3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide?
3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide has a molecular weight of 306.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide is sourced from PubChem (CID 60925281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).