4-methoxybenzenesulfonyl bromide

C7H7BrO3S — CID 13089866

IUPAC4-methoxybenzenesulfonyl bromide
SMILESCOc1ccc(S(=O)(=O)Br)cc1
InChIInChI=1S/C7H7BrO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3
InChIKeyYSFCREAOVCDYCH-UHFFFAOYSA-N
MW251.10 g/mol
LogP1.78
Rot. Bonds2

About 4-methoxybenzenesulfonyl bromide

4-methoxybenzenesulfonyl bromide (PubChem CID 13089866) has the molecular formula C7H7BrO3S and a molecular weight of 251.10 g/mol. Its IUPAC name is 4-methoxybenzenesulfonyl bromide.

Molecular Properties

Compound Name4-methoxybenzenesulfonyl bromide
PubChem CID13089866
Molecular FormulaC7H7BrO3S
Molecular Weight251.10 g/mol
Exact Mass249.93
IUPAC Name4-methoxybenzenesulfonyl bromide
SMILESCOc1ccc(S(=O)(=O)Br)cc1
InChIInChI=1S/C7H7BrO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3
InChIKeyYSFCREAOVCDYCH-UHFFFAOYSA-N
XLogP1.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzenesulfonyl bromide?
The IUPAC name of 4-methoxybenzenesulfonyl bromide (CID 13089866) is 4-methoxybenzenesulfonyl bromide.
What is the SMILES notation for 4-methoxybenzenesulfonyl bromide?
The canonical SMILES for 4-methoxybenzenesulfonyl bromide is COc1ccc(S(=O)(=O)Br)cc1.
What is the InChIKey of 4-methoxybenzenesulfonyl bromide?
The InChIKey is YSFCREAOVCDYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3.
What are the key properties of 4-methoxybenzenesulfonyl bromide?
4-methoxybenzenesulfonyl bromide has a molecular weight of 251.10 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzenesulfonyl bromide is sourced from PubChem (CID 13089866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).