2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol

C16H16F3NO3S — CID 113222214

IUPAC2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol
SMILESO=S(=O)(c1ccccc1N(CCO)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H16F3NO3S/c17-16(18,19)24(22,23)15-9-5-4-8-14(15)20(10-11-21)12-13-6-2-1-3-7-13/h1-9,21H,10-12H2
InChIKeyLWTKZLSYYRIIKA-UHFFFAOYSA-N
MW359.37 g/mol
LogP2.98
Rot. Bonds6

About 2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol

2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol (PubChem CID 113222214) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol
PubChem CID113222214
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC Name2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol
SMILESO=S(=O)(c1ccccc1N(CCO)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H16F3NO3S/c17-16(18,19)24(22,23)15-9-5-4-8-14(15)20(10-11-21)12-13-6-2-1-3-7-13/h1-9,21H,10-12H2
InChIKeyLWTKZLSYYRIIKA-UHFFFAOYSA-N
XLogP2.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 63765318
N-benzyl-N-(2-bromoethyl)-2-methylsulfonylaniline
CID 80675061
3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol
CID 141277151
N,N'-diethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 62587308
2-[N-benzyl-2-nitro-4-(trifluoromethyl)anilino]ethanol
CID 122176806
2-(N-benzyl-3-chloro-2-nitroanilino)ethanol
CID 104838976
2-[benzyl(2-hydroxyethyl)amino]-6-fluorobenzenecarbothioamide
CID 79517544
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
2-[benzyl(ethyl)amino]benzenesulfonyl chloride
CID 19798141
4-[N-methyl-2-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 115658301
2-[benzyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
CID 114450050
2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide
CID 140564775

Frequently Asked Questions

What is the IUPAC name of 2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol?
The IUPAC name of 2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol (CID 113222214) is 2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol.
What is the SMILES notation for 2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol?
The canonical SMILES for 2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol is O=S(=O)(c1ccccc1N(CCO)Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol?
The InChIKey is LWTKZLSYYRIIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c17-16(18,19)24(22,23)15-9-5-4-8-14(15)20(10-11-21)12-13-6-2-1-3-7-13/h1-9,21H,10-12H2.
What are the key properties of 2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol?
2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol has a molecular weight of 359.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol is sourced from PubChem (CID 113222214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).