2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline

C10H13F2NO4S2 — CID 54934651

IUPAC2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline
SMILESCS(=O)(=O)CCNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C10H13F2NO4S2/c1-18(14,15)7-6-13-8-4-2-3-5-9(8)19(16,17)10(11)12/h2-5,10,13H,6-7H2,1H3
InChIKeyAWLGJMUNZKAIOU-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.14
Rot. Bonds6

About 2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline

2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline (PubChem CID 54934651) has the molecular formula C10H13F2NO4S2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline
PubChem CID54934651
Molecular FormulaC10H13F2NO4S2
Molecular Weight313.35 g/mol
Exact Mass313.03
IUPAC Name2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline
SMILESCS(=O)(=O)CCNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C10H13F2NO4S2/c1-18(14,15)7-6-13-8-4-2-3-5-9(8)19(16,17)10(11)12/h2-5,10,13H,6-7H2,1H3
InChIKeyAWLGJMUNZKAIOU-UHFFFAOYSA-N
XLogP1.14
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide
CID 106337997
2-(difluoromethylsulfonyl)-N-[2-(2-methylpropoxy)ethyl]aniline
CID 115620846
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-(3-chloropentyl)-2-(difluoromethylsulfonyl)aniline
CID 113497856
N'-[2-(difluoromethylsulfonyl)phenyl]hexane-1,6-diamine
CID 107844931
3-[2-(difluoromethylsulfonyl)anilino]-N,N-dimethylpropanamide
CID 60925281
2-(difluoromethylsulfonyl)-N-(5-methylsulfanylpentyl)aniline
CID 104925514
2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline
CID 60904511
4-[2-(difluoromethylsulfonyl)anilino]-1-methoxybutan-2-ol
CID 103875676
2-[2-[2-(difluoromethylsulfonyl)anilino]ethoxy]acetamide
CID 106239402
2-iodo-N-(2-methylsulfonylethyl)aniline
CID 60917001

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline (CID 54934651) is 2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline is CS(=O)(=O)CCNc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline?
The InChIKey is AWLGJMUNZKAIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO4S2/c1-18(14,15)7-6-13-8-4-2-3-5-9(8)19(16,17)10(11)12/h2-5,10,13H,6-7H2,1H3.
What are the key properties of 2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline?
2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline has a molecular weight of 313.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline is sourced from PubChem (CID 54934651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).