4-fluoro-3-(hydroxymethyl)benzenesulfonamide

C7H8FNO3S — CID 59531847

IUPAC4-fluoro-3-(hydroxymethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(CO)c1
InChIInChI=1S/C7H8FNO3S/c8-7-2-1-6(13(9,11)12)3-5(7)4-10/h1-3,10H,4H2,(H2,9,11,12)
InChIKeyMPEAMUDVHKHJSC-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.03
Rot. Bonds2

About 4-fluoro-3-(hydroxymethyl)benzenesulfonamide

4-fluoro-3-(hydroxymethyl)benzenesulfonamide (PubChem CID 59531847) has the molecular formula C7H8FNO3S and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-fluoro-3-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-(hydroxymethyl)benzenesulfonamide
PubChem CID59531847
Molecular FormulaC7H8FNO3S
Molecular Weight205.21 g/mol
Exact Mass205.02
IUPAC Name4-fluoro-3-(hydroxymethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(CO)c1
InChIInChI=1S/C7H8FNO3S/c8-7-2-1-6(13(9,11)12)3-5(7)4-10/h1-3,10H,4H2,(H2,9,11,12)
InChIKeyMPEAMUDVHKHJSC-UHFFFAOYSA-N
XLogP-0.03
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-(hydroxymethyl)benzenesulfonamide (CID 59531847) is 4-fluoro-3-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-(hydroxymethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(F)c(CO)c1.
What is the InChIKey of 4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
The InChIKey is MPEAMUDVHKHJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3S/c8-7-2-1-6(13(9,11)12)3-5(7)4-10/h1-3,10H,4H2,(H2,9,11,12).
What are the key properties of 4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
4-fluoro-3-(hydroxymethyl)benzenesulfonamide has a molecular weight of 205.21 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 59531847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).