3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide

C8H10FNO3S — CID 141317068

IUPAC3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(F)c1CCO
InChIInChI=1S/C8H10FNO3S/c9-7-2-1-3-8(14(10,12)13)6(7)4-5-11/h1-3,11H,4-5H2,(H2,10,12,13)
InChIKeyUJNIAVJILGCQTO-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.01
Rot. Bonds3

About 3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide

3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 141317068) has the molecular formula C8H10FNO3S and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide
PubChem CID141317068
Molecular FormulaC8H10FNO3S
Molecular Weight219.24 g/mol
Exact Mass219.04
IUPAC Name3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(F)c1CCO
InChIInChI=1S/C8H10FNO3S/c9-7-2-1-3-8(14(10,12)13)6(7)4-5-11/h1-3,11H,4-5H2,(H2,10,12,13)
InChIKeyUJNIAVJILGCQTO-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 3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide (CID 141317068) is 3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide is NS(=O)(=O)c1cccc(F)c1CCO.
What is the InChIKey of 3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is UJNIAVJILGCQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3S/c9-7-2-1-3-8(14(10,12)13)6(7)4-5-11/h1-3,11H,4-5H2,(H2,10,12,13).
What are the key properties of 3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide?
3-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 3-fluoro-2-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 141317068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).