4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide

C13H12FNO3S — CID 2333594

IUPAC4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CO)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO3S/c14-11-5-7-12(8-6-11)19(17,18)15-13-4-2-1-3-10(13)9-16/h1-8,15-16H,9H2
InChIKeyRQXGJWWUZSSERU-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.12
Rot. Bonds4

About 4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide

4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 2333594) has the molecular formula C13H12FNO3S and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID2333594
Molecular FormulaC13H12FNO3S
Molecular Weight281.31 g/mol
Exact Mass281.05
IUPAC Name4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CO)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO3S/c14-11-5-7-12(8-6-11)19(17,18)15-13-4-2-1-3-10(13)9-16/h1-8,15-16H,9H2
InChIKeyRQXGJWWUZSSERU-UHFFFAOYSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide (CID 2333594) is 4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1CO)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is RQXGJWWUZSSERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S/c14-11-5-7-12(8-6-11)19(17,18)15-13-4-2-1-3-10(13)9-16/h1-8,15-16H,9H2.
What are the key properties of 4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2333594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).