2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide

C11H16F2N2O4S2 — CID 106337997

IUPAC2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H16F2N2O4S2/c1-2-15-20(16,17)8-7-14-9-5-3-4-6-10(9)21(18,19)11(12)13/h3-6,11,14-15H,2,7-8H2,1H3
InChIKeyDTXYBKRYCIJAFX-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.03
Rot. Bonds8

About 2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide

2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide (PubChem CID 106337997) has the molecular formula C11H16F2N2O4S2 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide
PubChem CID106337997
Molecular FormulaC11H16F2N2O4S2
Molecular Weight342.39 g/mol
Exact Mass342.05
IUPAC Name2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H16F2N2O4S2/c1-2-15-20(16,17)8-7-14-9-5-3-4-6-10(9)21(18,19)11(12)13/h3-6,11,14-15H,2,7-8H2,1H3
InChIKeyDTXYBKRYCIJAFX-UHFFFAOYSA-N
XLogP1.03
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline
CID 54934651
N-(3-chloropentyl)-2-(difluoromethylsulfonyl)aniline
CID 113497856
3-[2-(difluoromethylsulfonyl)anilino]propan-1-ol
CID 43455403
N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62641444
N'-[2-(difluoromethylsulfonyl)phenyl]hexane-1,6-diamine
CID 107844931
3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide
CID 60925281
2-(difluoromethylsulfonyl)-N-[2-(2-methylpropoxy)ethyl]aniline
CID 115620846
2-(difluoromethylsulfonyl)-N-(5-methylsulfanylpentyl)aniline
CID 104925514
2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide
CID 106334340
2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline
CID 60904511
4-[2-(difluoromethylsulfonyl)anilino]-1-methoxybutan-2-ol
CID 103875676
N-ethyl-2-[3-(ethylamino)-2-nitroanilino]ethanesulfonamide
CID 106343361

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide (CID 106337997) is 2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide?
The InChIKey is DTXYBKRYCIJAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O4S2/c1-2-15-20(16,17)8-7-14-9-5-3-4-6-10(9)21(18,19)11(12)13/h3-6,11,14-15H,2,7-8H2,1H3.
What are the key properties of 2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide?
2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide has a molecular weight of 342.39 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106337997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).