N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine

C11H15F3N2O2S — CID 63765318

IUPACN'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
SMILESCCN(CCN)c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c1-2-16(8-7-15)9-5-3-4-6-10(9)19(17,18)11(12,13)14/h3-6H,2,7-8,15H2,1H3
InChIKeyGNRHVNZIAQJYBU-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.77
Rot. Bonds5

About N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine

N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine (PubChem CID 63765318) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
PubChem CID63765318
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
SMILESCCN(CCN)c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c1-2-16(8-7-15)9-5-3-4-6-10(9)19(17,18)11(12,13)14/h3-6H,2,7-8,15H2,1H3
InChIKeyGNRHVNZIAQJYBU-UHFFFAOYSA-N
XLogP1.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-diethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 62587308
N'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 114900525
3-N-methyl-3-N-[2-(trifluoromethylsulfonyl)phenyl]butane-1,3-diamine
CID 63225381
2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine
CID 104556660
2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol
CID 113222214
N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 62922768
N'-ethyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62313462
4-[N-methyl-2-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 115658301
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 79389604
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide
CID 79665643
1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79390069
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide
CID 79389694

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine (CID 63765318) is N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine is CCN(CCN)c1ccccc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The InChIKey is GNRHVNZIAQJYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-2-16(8-7-15)9-5-3-4-6-10(9)19(17,18)11(12,13)14/h3-6H,2,7-8,15H2,1H3.
What are the key properties of N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine has a molecular weight of 296.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 63765318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).