3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide

C9H11BrFNO3S — CID 65202554

IUPAC3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCOc1ccc(Br)c(F)c1
InChIInChI=1S/C9H11BrFNO3S/c10-8-3-2-7(6-9(8)11)15-4-1-5-16(12,13)14/h2-3,6H,1,4-5H2,(H2,12,13,14)
InChIKeyWWRJFJPDLXBDGH-UHFFFAOYSA-N
MW312.16 g/mol
LogP1.65
Rot. Bonds5

About 3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide

3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide (PubChem CID 65202554) has the molecular formula C9H11BrFNO3S and a molecular weight of 312.16 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide
PubChem CID65202554
Molecular FormulaC9H11BrFNO3S
Molecular Weight312.16 g/mol
Exact Mass310.96
IUPAC Name3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCOc1ccc(Br)c(F)c1
InChIInChI=1S/C9H11BrFNO3S/c10-8-3-2-7(6-9(8)11)15-4-1-5-16(12,13)14/h2-3,6H,1,4-5H2,(H2,12,13,14)
InChIKeyWWRJFJPDLXBDGH-UHFFFAOYSA-N
XLogP1.65
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 51.65
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-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide
CID 65202502
1-bromo-4-(2-ethylsulfonylethoxy)-2-fluorobenzene
CID 65202505
6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide
CID 82727709
1,9-bis(4-bromo-3-fluorophenoxy)nonan-5-one
CID 122542604
5-(4-bromo-3-fluorophenoxy)-2,2-dimethylpentan-1-amine
CID 65256229
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pentane-1-sulfonamide
CID 102747732
4-[2-(4-bromo-3-fluorophenoxy)ethoxy]aniline
CID 65203637
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
3-(3-bromo-4-fluorophenoxy)propane-1-sulfonyl chloride
CID 83235024
2-(4-bromo-3-methylphenoxy)ethanesulfonamide
CID 83135088
1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 65202998
6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine
CID 65201441

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide?
The IUPAC name of 3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide (CID 65202554) is 3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide.
What is the SMILES notation for 3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide?
The canonical SMILES for 3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide is NS(=O)(=O)CCCOc1ccc(Br)c(F)c1.
What is the InChIKey of 3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide?
The InChIKey is WWRJFJPDLXBDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO3S/c10-8-3-2-7(6-9(8)11)15-4-1-5-16(12,13)14/h2-3,6H,1,4-5H2,(H2,12,13,14).
What are the key properties of 3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide?
3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide has a molecular weight of 312.16 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide is sourced from PubChem (CID 65202554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).