2-fluoro-5-(methoxymethyl)benzenesulfonamide

C8H10FNO3S — CID 83271582

IUPAC2-fluoro-5-(methoxymethyl)benzenesulfonamide
SMILESCOCc1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C8H10FNO3S/c1-13-5-6-2-3-7(9)8(4-6)14(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyOXRXUCMPEXKWIM-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.62
Rot. Bonds3

About 2-fluoro-5-(methoxymethyl)benzenesulfonamide

2-fluoro-5-(methoxymethyl)benzenesulfonamide (PubChem CID 83271582) has the molecular formula C8H10FNO3S and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-fluoro-5-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-(methoxymethyl)benzenesulfonamide
PubChem CID83271582
Molecular FormulaC8H10FNO3S
Molecular Weight219.24 g/mol
Exact Mass219.04
IUPAC Name2-fluoro-5-(methoxymethyl)benzenesulfonamide
SMILESCOCc1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C8H10FNO3S/c1-13-5-6-2-3-7(9)8(4-6)14(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyOXRXUCMPEXKWIM-UHFFFAOYSA-N
XLogP0.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(methoxymethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-(methoxymethyl)benzenesulfonamide (CID 83271582) is 2-fluoro-5-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-(methoxymethyl)benzenesulfonamide is COCc1ccc(F)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-fluoro-5-(methoxymethyl)benzenesulfonamide?
The InChIKey is OXRXUCMPEXKWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3S/c1-13-5-6-2-3-7(9)8(4-6)14(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12).
What are the key properties of 2-fluoro-5-(methoxymethyl)benzenesulfonamide?
2-fluoro-5-(methoxymethyl)benzenesulfonamide has a molecular weight of 219.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 83271582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).