2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide

C11H14F3NO3S — CID 107319503

IUPAC2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3NO3S/c12-8-4-5-9(11(14)10(8)13)19(17,18)15-6-2-1-3-7-16/h4-5,15-16H,1-3,6-7H2
InChIKeyYZROMPYWDSNTBG-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.54
Rot. Bonds7

About 2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide

2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide (PubChem CID 107319503) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide
PubChem CID107319503
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCO)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3NO3S/c12-8-4-5-9(11(14)10(8)13)19(17,18)15-6-2-1-3-7-16/h4-5,15-16H,1-3,6-7H2
InChIKeyYZROMPYWDSNTBG-UHFFFAOYSA-N
XLogP1.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-hydroxyethyl)benzenesulfonamide
CID 43502000
2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 104600560
2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 103088486
2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
CID 11638382
N-(2-tert-butylsulfanylethyl)-2,3,4-trifluorobenzenesulfonamide
CID 3682594
3,4-difluoro-5-(4-hydroxybutylsulfamoyl)benzoic acid
CID 106840426
2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115455387
5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316367
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316375
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide (CID 107319503) is 2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide is O=S(=O)(NCCCCCO)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide?
The InChIKey is YZROMPYWDSNTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c12-8-4-5-9(11(14)10(8)13)19(17,18)15-6-2-1-3-7-16/h4-5,15-16H,1-3,6-7H2.
What are the key properties of 2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide?
2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.54, 7 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-(5-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 107319503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).