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

C8H8Cl2O3S — CID 84804868

IUPAC4-chloro-5-methoxy-2-methylbenzenesulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)c(C)cc1Cl
InChIInChI=1S/C8H8Cl2O3S/c1-5-3-6(9)7(13-2)4-8(5)14(10,11)12/h3-4H,1-2H3
InChIKeyOWOSVIVYIOUVNB-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.58
Rot. Bonds2

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

4-chloro-5-methoxy-2-methylbenzenesulfonyl chloride (PubChem CID 84804868) has the molecular formula C8H8Cl2O3S and a molecular weight of 255.12 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-methylbenzenesulfonyl chloride
PubChem CID84804868
Molecular FormulaC8H8Cl2O3S
Molecular Weight255.12 g/mol
Exact Mass253.96
IUPAC Name4-chloro-5-methoxy-2-methylbenzenesulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)c(C)cc1Cl
InChIInChI=1S/C8H8Cl2O3S/c1-5-3-6(9)7(13-2)4-8(5)14(10,11)12/h3-4H,1-2H3
InChIKeyOWOSVIVYIOUVNB-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 4-chloro-5-methoxy-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-chloro-5-methoxy-2-methylbenzenesulfonyl chloride (CID 84804868) is 4-chloro-5-methoxy-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-5-methoxy-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-5-methoxy-2-methylbenzenesulfonyl chloride is COc1cc(S(=O)(=O)Cl)c(C)cc1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-methylbenzenesulfonyl chloride?
The InChIKey is OWOSVIVYIOUVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O3S/c1-5-3-6(9)7(13-2)4-8(5)14(10,11)12/h3-4H,1-2H3.
What are the key properties of 4-chloro-5-methoxy-2-methylbenzenesulfonyl chloride?
4-chloro-5-methoxy-2-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 4-chloro-5-methoxy-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 84804868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).