2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide

C12H16F2N2O3S — CID 133282320

IUPAC2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H16F2N2O3S/c1-15(2)11(17)8-16(3)9-6-4-5-7-10(9)20(18,19)12(13)14/h4-7,12H,8H2,1-3H3
InChIKeyIQDNQLLJMZOVBC-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.21
Rot. Bonds5

About 2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide

2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide (PubChem CID 133282320) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide
PubChem CID133282320
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H16F2N2O3S/c1-15(2)11(17)8-16(3)9-6-4-5-7-10(9)20(18,19)12(13)14/h4-7,12H,8H2,1-3H3
InChIKeyIQDNQLLJMZOVBC-UHFFFAOYSA-N
XLogP1.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-2-(difluoromethylsulfonyl)-N-methylaniline
CID 63388745
N-(2-chloropropyl)-2-(difluoromethylsulfonyl)-N-methylaniline
CID 63392463
2-[2-(difluoromethylsulfonyl)-N-propan-2-ylanilino]acetic acid
CID 60830041
N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline
CID 133398357
3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide
CID 60925281
2-[2-(dimethylsulfamoyl)-N-methylanilino]acetic acid
CID 43454434
N-(1-bromo-2-methylpropan-2-yl)-2-(difluoromethylsulfonyl)-N-methylaniline
CID 113476479
2-(N-methyl-2-methylsulfonylanilino)acetic acid
CID 43453480
2-[2-(difluoromethylsulfonyl)-N-prop-2-ynylanilino]acetic acid
CID 79273859
N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 62922768
2-(2-ethylsulfonyl-N-methylanilino)acetic acid
CID 43453508
methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
CID 62006228

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide (CID 133282320) is 2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide?
The InChIKey is IQDNQLLJMZOVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-15(2)11(17)8-16(3)9-6-4-5-7-10(9)20(18,19)12(13)14/h4-7,12H,8H2,1-3H3.
What are the key properties of 2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide?
2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide has a molecular weight of 306.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfonyl)-N-methylanilino]-N,N-dimethylacetamide is sourced from PubChem (CID 133282320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).