2-bromo-5-methoxybenzenesulfonamide

C7H8BrNO3S — CID 51000083

IUPAC2-bromo-5-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H8BrNO3S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyIOTSKPOLDPSFBV-UHFFFAOYSA-N
MW266.12 g/mol
LogP1.11
Rot. Bonds2

About 2-bromo-5-methoxybenzenesulfonamide

2-bromo-5-methoxybenzenesulfonamide (PubChem CID 51000083) has the molecular formula C7H8BrNO3S and a molecular weight of 266.12 g/mol. Its IUPAC name is 2-bromo-5-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-methoxybenzenesulfonamide
PubChem CID51000083
Molecular FormulaC7H8BrNO3S
Molecular Weight266.12 g/mol
Exact Mass264.94
IUPAC Name2-bromo-5-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H8BrNO3S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyIOTSKPOLDPSFBV-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 2-bromo-5-methoxybenzenesulfonamide?
The IUPAC name of 2-bromo-5-methoxybenzenesulfonamide (CID 51000083) is 2-bromo-5-methoxybenzenesulfonamide.
What is the SMILES notation for 2-bromo-5-methoxybenzenesulfonamide?
The canonical SMILES for 2-bromo-5-methoxybenzenesulfonamide is COc1ccc(Br)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-bromo-5-methoxybenzenesulfonamide?
The InChIKey is IOTSKPOLDPSFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 2-bromo-5-methoxybenzenesulfonamide?
2-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 2-bromo-5-methoxybenzenesulfonamide is sourced from PubChem (CID 51000083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).