2-bromo-4,5-dimethoxybenzenesulfonamide

C8H10BrNO4S — CID 4962584

IUPAC2-bromo-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(N)(=O)=O)cc1OC
InChIInChI=1S/C8H10BrNO4S/c1-13-6-3-5(9)8(15(10,11)12)4-7(6)14-2/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyMAXXFLICJJJSKF-UHFFFAOYSA-N
MW296.14 g/mol
LogP1.11
Rot. Bonds3

About 2-bromo-4,5-dimethoxybenzenesulfonamide

2-bromo-4,5-dimethoxybenzenesulfonamide (PubChem CID 4962584) has the molecular formula C8H10BrNO4S and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxybenzenesulfonamide
PubChem CID4962584
Molecular FormulaC8H10BrNO4S
Molecular Weight296.14 g/mol
Exact Mass294.95
IUPAC Name2-bromo-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(N)(=O)=O)cc1OC
InChIInChI=1S/C8H10BrNO4S/c1-13-6-3-5(9)8(15(10,11)12)4-7(6)14-2/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyMAXXFLICJJJSKF-UHFFFAOYSA-N
XLogP1.11
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethoxybenzenesulfonamide (CID 4962584) is 2-bromo-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethoxybenzenesulfonamide is COc1cc(Br)c(S(N)(=O)=O)cc1OC.
What is the InChIKey of 2-bromo-4,5-dimethoxybenzenesulfonamide?
The InChIKey is MAXXFLICJJJSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO4S/c1-13-6-3-5(9)8(15(10,11)12)4-7(6)14-2/h3-4H,1-2H3,(H2,10,11,12).
What are the key properties of 2-bromo-4,5-dimethoxybenzenesulfonamide?
2-bromo-4,5-dimethoxybenzenesulfonamide has a molecular weight of 296.14 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 4962584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).