2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide

C11H14F3NO3S — CID 143860168

IUPAC2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-18-10-5-3-2-4-9(10)6-7-15-19(16,17)8-11(12,13)14/h2-5,15H,6-8H2,1H3
InChIKeyDXXBLRFOXWCMTF-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.72
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide

2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide (PubChem CID 143860168) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
PubChem CID143860168
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-18-10-5-3-2-4-9(10)6-7-15-19(16,17)8-11(12,13)14/h2-5,15H,6-8H2,1H3
InChIKeyDXXBLRFOXWCMTF-UHFFFAOYSA-N
XLogP1.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 106261839
3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 28514163
1-methoxy-2-(3,3,3-trifluoropropyl)benzene
CID 162553251
2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 584158
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518814
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
1-[2-(ethylsulfonylamino)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111340052
1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene
CID 71659103
2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146
2-[2-(2-methoxyphenyl)ethylsulfamoyl]butanethioamide
CID 106261341
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
5-ethyl-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 87031963

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide (CID 143860168) is 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide is COc1ccccc1CCNS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide?
The InChIKey is DXXBLRFOXWCMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-18-10-5-3-2-4-9(10)6-7-15-19(16,17)8-11(12,13)14/h2-5,15H,6-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide?
2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 143860168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).