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

C14H14FNO3S — CID 47298854

IUPAC4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c1-19-10-11-4-2-3-5-14(11)16-20(17,18)13-8-6-12(15)7-9-13/h2-9,16H,10H2,1H3
InChIKeyPHXBKTSBYKYCPM-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.77
Rot. Bonds5

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

4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide (PubChem CID 47298854) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
PubChem CID47298854
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c1-19-10-11-4-2-3-5-14(11)16-20(17,18)13-8-6-12(15)7-9-13/h2-9,16H,10H2,1H3
InChIKeyPHXBKTSBYKYCPM-UHFFFAOYSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide (CID 47298854) is 4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide is COCc1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide?
The InChIKey is PHXBKTSBYKYCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-19-10-11-4-2-3-5-14(11)16-20(17,18)13-8-6-12(15)7-9-13/h2-9,16H,10H2,1H3.
What are the key properties of 4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide?
4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(methoxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 47298854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).