3,4-dimethoxybenzenesulfonamide

C8H11NO4S — CID 679488

IUPAC3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1OC
InChIInChI=1S/C8H11NO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyMEZNPUULYGXXFL-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.35
Rot. Bonds3

About 3,4-dimethoxybenzenesulfonamide

3,4-dimethoxybenzenesulfonamide (PubChem CID 679488) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is 3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxybenzenesulfonamide
PubChem CID679488
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1OC
InChIInChI=1S/C8H11NO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyMEZNPUULYGXXFL-UHFFFAOYSA-N
XLogP0.35
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxybenzenesulfonamide?
The IUPAC name of 3,4-dimethoxybenzenesulfonamide (CID 679488) is 3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for 3,4-dimethoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1OC.
What is the InChIKey of 3,4-dimethoxybenzenesulfonamide?
The InChIKey is MEZNPUULYGXXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3,(H2,9,10,11).
What are the key properties of 3,4-dimethoxybenzenesulfonamide?
3,4-dimethoxybenzenesulfonamide has a molecular weight of 217.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 679488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).