3-(methoxymethyl)benzenesulfonamide

C8H11NO3S — CID 43363721

IUPAC3-(methoxymethyl)benzenesulfonamide
SMILESCOCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C8H11NO3S/c1-12-6-7-3-2-4-8(5-7)13(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
InChIKeyLKVNLNWSKZFZPK-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.48
Rot. Bonds3

About 3-(methoxymethyl)benzenesulfonamide

3-(methoxymethyl)benzenesulfonamide (PubChem CID 43363721) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(methoxymethyl)benzenesulfonamide
PubChem CID43363721
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name3-(methoxymethyl)benzenesulfonamide
SMILESCOCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C8H11NO3S/c1-12-6-7-3-2-4-8(5-7)13(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
InChIKeyLKVNLNWSKZFZPK-UHFFFAOYSA-N
XLogP0.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)benzenesulfonamide?
The IUPAC name of 3-(methoxymethyl)benzenesulfonamide (CID 43363721) is 3-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for 3-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for 3-(methoxymethyl)benzenesulfonamide is COCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(methoxymethyl)benzenesulfonamide?
The InChIKey is LKVNLNWSKZFZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-12-6-7-3-2-4-8(5-7)13(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11).
What are the key properties of 3-(methoxymethyl)benzenesulfonamide?
3-(methoxymethyl)benzenesulfonamide has a molecular weight of 201.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 43363721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).