N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide

C10H13BrFNO3S — CID 65431442

IUPACN-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C10H13BrFNO3S/c1-2-16-5-6-17(14,15)13-8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyWCLUSQCOMOYGEG-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.37
Rot. Bonds6

About N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide

N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide (PubChem CID 65431442) has the molecular formula C10H13BrFNO3S and a molecular weight of 326.19 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
PubChem CID65431442
Molecular FormulaC10H13BrFNO3S
Molecular Weight326.19 g/mol
Exact Mass324.98
IUPAC NameN-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C10H13BrFNO3S/c1-2-16-5-6-17(14,15)13-8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyWCLUSQCOMOYGEG-UHFFFAOYSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.37
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

4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide
CID 63246071
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092
2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]ethanesulfonamide
CID 65436088
N-(4-bromo-3-fluorophenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106067072
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide
CID 63246113
4-bromo-N-(3-ethoxypropyl)-3-fluoroaniline
CID 65437705
N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide
CID 64787721
2-ethoxy-N-(4-formylphenyl)ethanesulfonamide
CID 106912887
N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 104779607
N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
CID 79768293
N-(4-bromo-3-fluorophenyl)-1-phenylmethanesulfonamide
CID 65430137

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide (CID 65431442) is N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide?
The InChIKey is WCLUSQCOMOYGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO3S/c1-2-16-5-6-17(14,15)13-8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide?
N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide has a molecular weight of 326.19 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 65431442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).