4-fluoro-2-(methoxymethyl)benzenesulfonamide

C8H10FNO3S — CID 83271454

IUPAC4-fluoro-2-(methoxymethyl)benzenesulfonamide
SMILESCOCc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C8H10FNO3S/c1-13-5-6-4-7(9)2-3-8(6)14(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyWEUCFWVRIFCEOM-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.62
Rot. Bonds3

About 4-fluoro-2-(methoxymethyl)benzenesulfonamide

4-fluoro-2-(methoxymethyl)benzenesulfonamide (PubChem CID 83271454) has the molecular formula C8H10FNO3S and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-fluoro-2-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-(methoxymethyl)benzenesulfonamide
PubChem CID83271454
Molecular FormulaC8H10FNO3S
Molecular Weight219.24 g/mol
Exact Mass219.04
IUPAC Name4-fluoro-2-(methoxymethyl)benzenesulfonamide
SMILESCOCc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C8H10FNO3S/c1-13-5-6-4-7(9)2-3-8(6)14(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyWEUCFWVRIFCEOM-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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Related Compounds

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5-fluoro-2-[(2-methoxyphenyl)methoxy]benzenesulfonamide
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CID 83876007
4-fluoro-2-iodobenzenesulfonamide
CID 112729762
2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene
CID 68919271
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CID 21069830
5-fluoro-2-(propylaminomethyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methoxymethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-(methoxymethyl)benzenesulfonamide (CID 83271454) is 4-fluoro-2-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-(methoxymethyl)benzenesulfonamide is COCc1cc(F)ccc1S(N)(=O)=O.
What is the InChIKey of 4-fluoro-2-(methoxymethyl)benzenesulfonamide?
The InChIKey is WEUCFWVRIFCEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3S/c1-13-5-6-4-7(9)2-3-8(6)14(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12).
What are the key properties of 4-fluoro-2-(methoxymethyl)benzenesulfonamide?
4-fluoro-2-(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 4-fluoro-2-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 83271454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).