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

C8H10FNO3S — CID 68579199

IUPAC4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1CCO
InChIInChI=1S/C8H10FNO3S/c9-7-1-2-8(14(10,12)13)6(5-7)3-4-11/h1-2,5,11H,3-4H2,(H2,10,12,13)
InChIKeyQOOWQTXTTMPMSX-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.01
Rot. Bonds3

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

4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 68579199) has the molecular formula C8H10FNO3S and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide
PubChem CID68579199
Molecular FormulaC8H10FNO3S
Molecular Weight219.24 g/mol
Exact Mass219.04
IUPAC Name4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)cc1CCO
InChIInChI=1S/C8H10FNO3S/c9-7-1-2-8(14(10,12)13)6(5-7)3-4-11/h1-2,5,11H,3-4H2,(H2,10,12,13)
InChIKeyQOOWQTXTTMPMSX-UHFFFAOYSA-N
XLogP0.01
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide (CID 68579199) is 4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(F)cc1CCO.
What is the InChIKey of 4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is QOOWQTXTTMPMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3S/c9-7-1-2-8(14(10,12)13)6(5-7)3-4-11/h1-2,5,11H,3-4H2,(H2,10,12,13).
What are the key properties of 4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide?
4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 219.24 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 68579199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).