2-bromo-4,5-dimethoxybenzenesulfonyl chloride

C8H8BrClO4S — CID 4962475

IUPAC2-bromo-4,5-dimethoxybenzenesulfonyl chloride
SMILESCOc1cc(Br)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C8H8BrClO4S/c1-13-6-3-5(9)8(15(10,11)12)4-7(6)14-2/h3-4H,1-2H3
InChIKeyUGBLMSQDINTCMI-UHFFFAOYSA-N
MW315.57 g/mol
LogP2.39
Rot. Bonds3

About 2-bromo-4,5-dimethoxybenzenesulfonyl chloride

2-bromo-4,5-dimethoxybenzenesulfonyl chloride (PubChem CID 4962475) has the molecular formula C8H8BrClO4S and a molecular weight of 315.57 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxybenzenesulfonyl chloride
PubChem CID4962475
Molecular FormulaC8H8BrClO4S
Molecular Weight315.57 g/mol
Exact Mass313.90
IUPAC Name2-bromo-4,5-dimethoxybenzenesulfonyl chloride
SMILESCOc1cc(Br)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C8H8BrClO4S/c1-13-6-3-5(9)8(15(10,11)12)4-7(6)14-2/h3-4H,1-2H3
InChIKeyUGBLMSQDINTCMI-UHFFFAOYSA-N
XLogP2.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxybenzenesulfonyl chloride?
The IUPAC name of 2-bromo-4,5-dimethoxybenzenesulfonyl chloride (CID 4962475) is 2-bromo-4,5-dimethoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4,5-dimethoxybenzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4,5-dimethoxybenzenesulfonyl chloride is COc1cc(Br)c(S(=O)(=O)Cl)cc1OC.
What is the InChIKey of 2-bromo-4,5-dimethoxybenzenesulfonyl chloride?
The InChIKey is UGBLMSQDINTCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO4S/c1-13-6-3-5(9)8(15(10,11)12)4-7(6)14-2/h3-4H,1-2H3.
What are the key properties of 2-bromo-4,5-dimethoxybenzenesulfonyl chloride?
2-bromo-4,5-dimethoxybenzenesulfonyl chloride has a molecular weight of 315.57 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxybenzenesulfonyl chloride is sourced from PubChem (CID 4962475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).