5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide

C11H15BrFNO3S — CID 65202502

IUPAC5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCOc1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO3S/c12-10-5-4-9(8-11(10)13)17-6-2-1-3-7-18(14,15)16/h4-5,8H,1-3,6-7H2,(H2,14,15,16)
InChIKeyHYQCCNRGQFGALC-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.43
Rot. Bonds7

About 5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide

5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide (PubChem CID 65202502) has the molecular formula C11H15BrFNO3S and a molecular weight of 340.21 g/mol. Its IUPAC name is 5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide.

Molecular Properties

Compound Name5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide
PubChem CID65202502
Molecular FormulaC11H15BrFNO3S
Molecular Weight340.21 g/mol
Exact Mass338.99
IUPAC Name5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCOc1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO3S/c12-10-5-4-9(8-11(10)13)17-6-2-1-3-7-18(14,15)16/h4-5,8H,1-3,6-7H2,(H2,14,15,16)
InChIKeyHYQCCNRGQFGALC-UHFFFAOYSA-N
XLogP2.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.43
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

3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide
CID 65202554
6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide
CID 82727709
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pentane-1-sulfonamide
CID 102747732
1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene
CID 65202505
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
1,9-bis(4-bromo-3-fluorophenoxy)nonan-5-one
CID 122542604
6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine
CID 65201441
9-(3-bromophenoxy)nonane-1-sulfonamide
CID 105343891
4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride
CID 83234939
4-[2-(4-bromo-3-fluorophenoxy)ethoxy]aniline
CID 65203637
2-(4-bromo-3-methylphenoxy)ethanesulfonamide
CID 83135088
5-(4-bromo-3-fluorophenoxy)-2,2-dimethylpentan-1-amine
CID 65256229

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide?
The IUPAC name of 5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide (CID 65202502) is 5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide.
What is the SMILES notation for 5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide?
The canonical SMILES for 5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide is NS(=O)(=O)CCCCCOc1ccc(Br)c(F)c1.
What is the InChIKey of 5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide?
The InChIKey is HYQCCNRGQFGALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO3S/c12-10-5-4-9(8-11(10)13)17-6-2-1-3-7-18(14,15)16/h4-5,8H,1-3,6-7H2,(H2,14,15,16).
What are the key properties of 5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide?
5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide has a molecular weight of 340.21 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide is sourced from PubChem (CID 65202502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).