4,5-dimethoxy-2-methylbenzenesulfonyl chloride

C9H11ClO4S — CID 16791394

IUPAC4,5-dimethoxy-2-methylbenzenesulfonyl chloride
SMILESCOc1cc(C)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C9H11ClO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3
InChIKeyIRHPZJPWXHAKBI-UHFFFAOYSA-N
MW250.70 g/mol
LogP1.94
Rot. Bonds3

About 4,5-dimethoxy-2-methylbenzenesulfonyl chloride

4,5-dimethoxy-2-methylbenzenesulfonyl chloride (PubChem CID 16791394) has the molecular formula C9H11ClO4S and a molecular weight of 250.70 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4,5-dimethoxy-2-methylbenzenesulfonyl chloride
PubChem CID16791394
Molecular FormulaC9H11ClO4S
Molecular Weight250.70 g/mol
Exact Mass250.01
IUPAC Name4,5-dimethoxy-2-methylbenzenesulfonyl chloride
SMILESCOc1cc(C)c(S(=O)(=O)Cl)cc1OC
InChIInChI=1S/C9H11ClO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3
InChIKeyIRHPZJPWXHAKBI-UHFFFAOYSA-N
XLogP1.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4,5-dimethoxy-2-methylbenzenesulfonyl chloride (CID 16791394) is 4,5-dimethoxy-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4,5-dimethoxy-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4,5-dimethoxy-2-methylbenzenesulfonyl chloride is COc1cc(C)c(S(=O)(=O)Cl)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methylbenzenesulfonyl chloride?
The InChIKey is IRHPZJPWXHAKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3.
What are the key properties of 4,5-dimethoxy-2-methylbenzenesulfonyl chloride?
4,5-dimethoxy-2-methylbenzenesulfonyl chloride has a molecular weight of 250.70 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 16791394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).