5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride

C8H8Cl2O3S — CID 17389862

IUPAC5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H8Cl2O3S/c1-5-3-7(13-2)8(4-6(5)9)14(10,11)12/h3-4H,1-2H3
InChIKeyBJRJHJZVSWZXIP-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.58
Rot. Bonds2

About 5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride

5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride (PubChem CID 17389862) has the molecular formula C8H8Cl2O3S and a molecular weight of 255.12 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride
PubChem CID17389862
Molecular FormulaC8H8Cl2O3S
Molecular Weight255.12 g/mol
Exact Mass253.96
IUPAC Name5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H8Cl2O3S/c1-5-3-7(13-2)8(4-6(5)9)14(10,11)12/h3-4H,1-2H3
InChIKeyBJRJHJZVSWZXIP-UHFFFAOYSA-N
XLogP2.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride (CID 17389862) is 5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride is COc1cc(C)c(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride?
The InChIKey is BJRJHJZVSWZXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O3S/c1-5-3-7(13-2)8(4-6(5)9)14(10,11)12/h3-4H,1-2H3.
What are the key properties of 5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride?
5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride has a molecular weight of 255.12 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 17389862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).