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

C8H9BrFNO3S — CID 60823428

IUPAC2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(F)cc1Br
InChIInChI=1S/C8H9BrFNO3S/c9-7-5-6(10)1-2-8(7)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4H2
InChIKeyIROWSFLLOZRBSE-UHFFFAOYSA-N
MW298.13 g/mol
LogP0.86
Rot. Bonds4

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

2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 60823428) has the molecular formula C8H9BrFNO3S and a molecular weight of 298.13 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID60823428
Molecular FormulaC8H9BrFNO3S
Molecular Weight298.13 g/mol
Exact Mass296.95
IUPAC Name2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(F)cc1Br
InChIInChI=1S/C8H9BrFNO3S/c9-7-5-6(10)1-2-8(7)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4H2
InChIKeyIROWSFLLOZRBSE-UHFFFAOYSA-N
XLogP0.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47305418
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 66170192
2-bromo-N-[2-(cyclopropylamino)ethyl]-4-fluorobenzenesulfonamide
CID 55101027
N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide
CID 63254005
methyl 4-[(2-bromo-4-fluorophenyl)sulfonylamino]butanoate
CID 61060420
2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457271
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 60824850
2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide
CID 79090264
2-bromo-4-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 113258225
4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 43502076

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 60823428) is 2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(NCCO)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is IROWSFLLOZRBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO3S/c9-7-5-6(10)1-2-8(7)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4H2.
What are the key properties of 2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 298.13 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 60823428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).