2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide

C9H10F3NO3S — CID 140565047

IUPAC2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)ccc1CCO
InChIInChI=1S/C9H10F3NO3S/c10-9(11,12)7-2-1-6(3-4-14)8(5-7)17(13,15)16/h1-2,5,14H,3-4H2,(H2,13,15,16)
InChIKeyXNPXWQXGFIPZLF-UHFFFAOYSA-N
MW269.24 g/mol
LogP0.89
Rot. Bonds3

About 2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide

2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 140565047) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID140565047
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)ccc1CCO
InChIInChI=1S/C9H10F3NO3S/c10-9(11,12)7-2-1-6(3-4-14)8(5-7)17(13,15)16/h1-2,5,14H,3-4H2,(H2,13,15,16)
InChIKeyXNPXWQXGFIPZLF-UHFFFAOYSA-N
XLogP0.89
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(trifluoromethyl)benzenesulfonamide
CID 11333908
2-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 25015015
2-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 67168218
2-(4-bromophenyl)sulfanyl-5-(trifluoromethyl)benzenesulfonamide
CID 23546051
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
2-[(1-aminocyclopropyl)methyl]-5-(trifluoromethyl)phenol
CID 117333690
2-fluoro-5-(trifluoromethyl)benzenesulfonic acid;hydrochloride
CID 174972192
2-[5-amino-2-(hydroxymethyl)phenyl]ethanol;1-phenyl-4-(trifluoromethyl)benzene
CID 171924767
2-[4-[3-[[2-(4-fluorophenyl)-2-methylpropyl]-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]-2-methylsulfonylphenyl]ethanol
CID 126646596
2-ethylsulfonyl-1-fluoro-4-(trifluoromethyl)benzene
CID 157365281
3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 155925897
2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 122525641

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide (CID 140565047) is 2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1cc(C(F)(F)F)ccc1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XNPXWQXGFIPZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c10-9(11,12)7-2-1-6(3-4-14)8(5-7)17(13,15)16/h1-2,5,14H,3-4H2,(H2,13,15,16).
What are the key properties of 2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide?
2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 269.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 140565047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).