2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide

C8H8F3NO3S — CID 43502000

IUPAC2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(F)c(F)c1F
InChIInChI=1S/C8H8F3NO3S/c9-5-1-2-6(8(11)7(5)10)16(14,15)12-3-4-13/h1-2,12-13H,3-4H2
InChIKeyOMZSPMRPRIEZRJ-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.37
Rot. Bonds4

About 2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide

2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 43502000) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID43502000
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC Name2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(F)c(F)c1F
InChIInChI=1S/C8H8F3NO3S/c9-5-1-2-6(8(11)7(5)10)16(14,15)12-3-4-13/h1-2,12-13H,3-4H2
InChIKeyOMZSPMRPRIEZRJ-UHFFFAOYSA-N
XLogP0.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107319503
2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 104600560
N-(2-tert-butylsulfanylethyl)-2,3,4-trifluorobenzenesulfonamide
CID 3682594
3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502012
2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115455387
N-[2-[(2,3,4-trifluorophenyl)sulfonylamino]ethyl]furan-3-carboxamide
CID 47071888
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502170
2,3,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833824
2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 3588933
2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572415

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 43502000) is 2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(NCCO)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is OMZSPMRPRIEZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c9-5-1-2-6(8(11)7(5)10)16(14,15)12-3-4-13/h1-2,12-13H,3-4H2.
What are the key properties of 2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide?
2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 255.22 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43502000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).