N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide

C11H15BrFNO3S — CID 114242897

IUPACN-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCOCCBr)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H15BrFNO3S/c1-14(7-9-17-8-6-12)18(15,16)11-5-3-2-4-10(11)13/h2-5H,6-9H2,1H3
InChIKeyBMRZVGMKSIEYHJ-UHFFFAOYSA-N
MW340.21 g/mol
LogP1.86
Rot. Bonds7

About N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide

N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 114242897) has the molecular formula C11H15BrFNO3S and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide
PubChem CID114242897
Molecular FormulaC11H15BrFNO3S
Molecular Weight340.21 g/mol
Exact Mass338.99
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCOCCBr)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H15BrFNO3S/c1-14(7-9-17-8-6-12)18(15,16)11-5-3-2-4-10(11)13/h2-5H,6-9H2,1H3
InChIKeyBMRZVGMKSIEYHJ-UHFFFAOYSA-N
XLogP1.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide (CID 114242897) is N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide is CN(CCOCCBr)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is BMRZVGMKSIEYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO3S/c1-14(7-9-17-8-6-12)18(15,16)11-5-3-2-4-10(11)13/h2-5H,6-9H2,1H3.
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide?
N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 340.21 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 114242897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).