2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide

C11H14F3NO4S — CID 104600560

IUPAC2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCOCCO)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3NO4S/c12-8-2-3-9(11(14)10(8)13)20(17,18)15-4-1-6-19-7-5-16/h2-3,15-16H,1,4-7H2
InChIKeyMBCBILOIMVFKMY-UHFFFAOYSA-N
MW313.30 g/mol
LogP0.78
Rot. Bonds8

About 2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide

2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide (PubChem CID 104600560) has the molecular formula C11H14F3NO4S and a molecular weight of 313.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
PubChem CID104600560
Molecular FormulaC11H14F3NO4S
Molecular Weight313.30 g/mol
Exact Mass313.06
IUPAC Name2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCOCCO)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3NO4S/c12-8-2-3-9(11(14)10(8)13)20(17,18)15-4-1-6-19-7-5-16/h2-3,15-16H,1,4-7H2
InChIKeyMBCBILOIMVFKMY-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-hydroxyethyl)benzenesulfonamide
CID 43502000
2-amino-5-bromo-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308613
N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide
CID 106305837
2,6-difluoro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid
CID 122198788
3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide
CID 104600565
3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
CID 106308661
2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308704
1-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]methanesulfonamide
CID 104600551
2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 55083819
3-amino-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]-5-methylbenzenesulfonamide
CID 106308683
N-(2-tert-butylsulfanylethyl)-2,3,4-trifluorobenzenesulfonamide
CID 3682594

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide (CID 104600560) is 2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide is O=S(=O)(NCCCOCCO)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide?
The InChIKey is MBCBILOIMVFKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO4S/c12-8-2-3-9(11(14)10(8)13)20(17,18)15-4-1-6-19-7-5-16/h2-3,15-16H,1,4-7H2.
What are the key properties of 2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide?
2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide has a molecular weight of 313.30 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide is sourced from PubChem (CID 104600560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).