3-bromo-5-methoxybenzenesulfonamide

C7H8BrNO3S — CID 51000085

IUPAC3-bromo-5-methoxybenzenesulfonamide
SMILESCOc1cc(Br)cc(S(N)(=O)=O)c1
InChIInChI=1S/C7H8BrNO3S/c1-12-6-2-5(8)3-7(4-6)13(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyMIOYHODZZFACDK-UHFFFAOYSA-N
MW266.12 g/mol
LogP1.11
Rot. Bonds2

About 3-bromo-5-methoxybenzenesulfonamide

3-bromo-5-methoxybenzenesulfonamide (PubChem CID 51000085) has the molecular formula C7H8BrNO3S and a molecular weight of 266.12 g/mol. Its IUPAC name is 3-bromo-5-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-methoxybenzenesulfonamide
PubChem CID51000085
Molecular FormulaC7H8BrNO3S
Molecular Weight266.12 g/mol
Exact Mass264.94
IUPAC Name3-bromo-5-methoxybenzenesulfonamide
SMILESCOc1cc(Br)cc(S(N)(=O)=O)c1
InChIInChI=1S/C7H8BrNO3S/c1-12-6-2-5(8)3-7(4-6)13(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyMIOYHODZZFACDK-UHFFFAOYSA-N
XLogP1.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-5-methoxybenzenesulfonamide (CID 51000085) is 3-bromo-5-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-5-methoxybenzenesulfonamide is COc1cc(Br)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-bromo-5-methoxybenzenesulfonamide?
The InChIKey is MIOYHODZZFACDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3S/c1-12-6-2-5(8)3-7(4-6)13(9,10)11/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 3-bromo-5-methoxybenzenesulfonamide?
3-bromo-5-methoxybenzenesulfonamide has a molecular weight of 266.12 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxybenzenesulfonamide is sourced from PubChem (CID 51000085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).