5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide

C9H11F2NO3S — CID 81113508

IUPAC5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1OCCCF
InChIInChI=1S/C9H11F2NO3S/c10-4-1-5-15-8-3-2-7(11)6-9(8)16(12,13)14/h2-3,6H,1,4-5H2,(H2,12,13,14)
InChIKeyGVYMOETXYDEKBV-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.21
Rot. Bonds5

About 5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide

5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide (PubChem CID 81113508) has the molecular formula C9H11F2NO3S and a molecular weight of 251.25 g/mol. Its IUPAC name is 5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide
PubChem CID81113508
Molecular FormulaC9H11F2NO3S
Molecular Weight251.25 g/mol
Exact Mass251.04
IUPAC Name5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1OCCCF
InChIInChI=1S/C9H11F2NO3S/c10-4-1-5-15-8-3-2-7(11)6-9(8)16(12,13)14/h2-3,6H,1,4-5H2,(H2,12,13,14)
InChIKeyGVYMOETXYDEKBV-UHFFFAOYSA-N
XLogP1.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113386
2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide
CID 62105180
5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473030
4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide
CID 82915136
2-(4-fluoro-2-sulfamoylphenoxy)acetic acid
CID 62103698
2-(3-cyano-3-methylbutoxy)-5-fluorobenzenesulfonamide
CID 82915040
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
CID 81113749
2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 62105360
5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 62104427
2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 103047119
2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide
CID 113454566
5-fluoro-2-[(2-methoxyphenyl)methoxy]benzenesulfonamide
CID 62104803

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide (CID 81113508) is 5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide is NS(=O)(=O)c1cc(F)ccc1OCCCF.
What is the InChIKey of 5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide?
The InChIKey is GVYMOETXYDEKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3S/c10-4-1-5-15-8-3-2-7(11)6-9(8)16(12,13)14/h2-3,6H,1,4-5H2,(H2,12,13,14).
What are the key properties of 5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide?
5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide has a molecular weight of 251.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide is sourced from PubChem (CID 81113508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).