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

C8H9BrFNO3S — CID 58901741

IUPAC4-bromo-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(Br)cc1F
InChIInChI=1S/C8H9BrFNO3S/c9-6-1-2-8(7(10)5-6)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4H2
InChIKeyDFKXCAGJYHYDGS-UHFFFAOYSA-N
MW298.13 g/mol
LogP0.86
Rot. Bonds4

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

4-bromo-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 58901741) has the molecular formula C8H9BrFNO3S and a molecular weight of 298.13 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID58901741
Molecular FormulaC8H9BrFNO3S
Molecular Weight298.13 g/mol
Exact Mass296.95
IUPAC Name4-bromo-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(Br)cc1F
InChIInChI=1S/C8H9BrFNO3S/c9-6-1-2-8(7(10)5-6)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4H2
InChIKeyDFKXCAGJYHYDGS-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 58901741) is 4-bromo-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(NCCO)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is DFKXCAGJYHYDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO3S/c9-6-1-2-8(7(10)5-6)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4H2.
What are the key properties of 4-bromo-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
4-bromo-2-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 4-bromo-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 58901741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).