3-chloro-5-(methoxymethyl)benzenesulfonyl chloride

C8H8Cl2O3S — CID 83271809

IUPAC3-chloro-5-(methoxymethyl)benzenesulfonyl chloride
SMILESCOCc1cc(Cl)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H8Cl2O3S/c1-13-5-6-2-7(9)4-8(3-6)14(10,11)12/h2-4H,5H2,1H3
InChIKeyRHVUISRGWFLLIP-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.41
Rot. Bonds3

About 3-chloro-5-(methoxymethyl)benzenesulfonyl chloride

3-chloro-5-(methoxymethyl)benzenesulfonyl chloride (PubChem CID 83271809) has the molecular formula C8H8Cl2O3S and a molecular weight of 255.12 g/mol. Its IUPAC name is 3-chloro-5-(methoxymethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-(methoxymethyl)benzenesulfonyl chloride
PubChem CID83271809
Molecular FormulaC8H8Cl2O3S
Molecular Weight255.12 g/mol
Exact Mass253.96
IUPAC Name3-chloro-5-(methoxymethyl)benzenesulfonyl chloride
SMILESCOCc1cc(Cl)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H8Cl2O3S/c1-13-5-6-2-7(9)4-8(3-6)14(10,11)12/h2-4H,5H2,1H3
InChIKeyRHVUISRGWFLLIP-UHFFFAOYSA-N
XLogP2.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(methoxymethyl)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-5-(methoxymethyl)benzenesulfonyl chloride (CID 83271809) is 3-chloro-5-(methoxymethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-5-(methoxymethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-5-(methoxymethyl)benzenesulfonyl chloride is COCc1cc(Cl)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-chloro-5-(methoxymethyl)benzenesulfonyl chloride?
The InChIKey is RHVUISRGWFLLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O3S/c1-13-5-6-2-7(9)4-8(3-6)14(10,11)12/h2-4H,5H2,1H3.
What are the key properties of 3-chloro-5-(methoxymethyl)benzenesulfonyl chloride?
3-chloro-5-(methoxymethyl)benzenesulfonyl chloride has a molecular weight of 255.12 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(methoxymethyl)benzenesulfonyl chloride is sourced from PubChem (CID 83271809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).