2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide

C10H12F3NO3S — CID 79578508

IUPAC2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCO)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c11-10(12,13)9-4-2-1-3-8(9)7-14-18(16,17)6-5-15/h1-4,14-15H,5-7H2
InChIKeyDAVKNBFAQQYMBE-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.12
Rot. Bonds5

About 2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide

2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide (PubChem CID 79578508) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide
PubChem CID79578508
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Name2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCO)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c11-10(12,13)9-4-2-1-3-8(9)7-14-18(16,17)6-5-15/h1-4,14-15H,5-7H2
InChIKeyDAVKNBFAQQYMBE-UHFFFAOYSA-N
XLogP1.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide (CID 79578508) is 2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide is O=S(=O)(CCO)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide?
The InChIKey is DAVKNBFAQQYMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c11-10(12,13)9-4-2-1-3-8(9)7-14-18(16,17)6-5-15/h1-4,14-15H,5-7H2.
What are the key properties of 2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide?
2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide has a molecular weight of 283.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[2-(trifluoromethyl)phenyl]methyl]ethanesulfonamide is sourced from PubChem (CID 79578508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).