2,4,5-trimethoxybenzenesulfonyl chloride

C9H11ClO5S — CID 13179805

IUPAC2,4,5-trimethoxybenzenesulfonyl chloride
SMILESCOc1cc(OC)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C9H11ClO5S/c1-13-6-4-8(15-3)9(16(10,11)12)5-7(6)14-2/h4-5H,1-3H3
InChIKeyLSFOYENWQJZHKY-UHFFFAOYSA-N
MW266.70 g/mol
LogP1.64
Rot. Bonds4

About 2,4,5-trimethoxybenzenesulfonyl chloride

2,4,5-trimethoxybenzenesulfonyl chloride (PubChem CID 13179805) has the molecular formula C9H11ClO5S and a molecular weight of 266.70 g/mol. Its IUPAC name is 2,4,5-trimethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2,4,5-trimethoxybenzenesulfonyl chloride
PubChem CID13179805
Molecular FormulaC9H11ClO5S
Molecular Weight266.70 g/mol
Exact Mass266.00
IUPAC Name2,4,5-trimethoxybenzenesulfonyl chloride
SMILESCOc1cc(OC)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C9H11ClO5S/c1-13-6-4-8(15-3)9(16(10,11)12)5-7(6)14-2/h4-5H,1-3H3
InChIKeyLSFOYENWQJZHKY-UHFFFAOYSA-N
XLogP1.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxybenzenesulfonyl chloride?
The IUPAC name of 2,4,5-trimethoxybenzenesulfonyl chloride (CID 13179805) is 2,4,5-trimethoxybenzenesulfonyl chloride.
What is the SMILES notation for 2,4,5-trimethoxybenzenesulfonyl chloride?
The canonical SMILES for 2,4,5-trimethoxybenzenesulfonyl chloride is COc1cc(OC)c(S(=O)(=O)Cl)cc1OC.
What is the InChIKey of 2,4,5-trimethoxybenzenesulfonyl chloride?
The InChIKey is LSFOYENWQJZHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO5S/c1-13-6-4-8(15-3)9(16(10,11)12)5-7(6)14-2/h4-5H,1-3H3.
What are the key properties of 2,4,5-trimethoxybenzenesulfonyl chloride?
2,4,5-trimethoxybenzenesulfonyl chloride has a molecular weight of 266.70 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxybenzenesulfonyl chloride is sourced from PubChem (CID 13179805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).