2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide

C9H11BrFNO3S — CID 47204744

IUPAC2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H11BrFNO3S/c1-15-5-4-12-16(13,14)9-3-2-7(11)6-8(9)10/h2-3,6,12H,4-5H2,1H3
InChIKeyIHHITVQCTDEZIU-UHFFFAOYSA-N
MW312.16 g/mol
LogP1.51
Rot. Bonds5

About 2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide

2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 47204744) has the molecular formula C9H11BrFNO3S and a molecular weight of 312.16 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID47204744
Molecular FormulaC9H11BrFNO3S
Molecular Weight312.16 g/mol
Exact Mass310.96
IUPAC Name2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H11BrFNO3S/c1-15-5-4-12-16(13,14)9-3-2-7(11)6-8(9)10/h2-3,6,12H,4-5H2,1H3
InChIKeyIHHITVQCTDEZIU-UHFFFAOYSA-N
XLogP1.51
TPSA55.40 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 ≤ 51.51
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

2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62850287
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
2-bromo-4-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 113258225
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457271
methyl 4-[(2-bromo-4-fluorophenyl)sulfonylamino]butanoate
CID 61060420
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide
CID 63254005
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47305418
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120717896
2-bromo-N-[2-(cyclopropylamino)ethyl]-4-fluorobenzenesulfonamide
CID 55101027
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide (CID 47204744) is 2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is IHHITVQCTDEZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO3S/c1-15-5-4-12-16(13,14)9-3-2-7(11)6-8(9)10/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 312.16 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 47204744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).