4-(2-methoxyethyl)benzenesulfonyl chloride

C9H11ClO3S — CID 16788348

IUPAC4-(2-methoxyethyl)benzenesulfonyl chloride
SMILESCOCCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClO3S/c1-13-7-6-8-2-4-9(5-3-8)14(10,11)12/h2-5H,6-7H2,1H3
InChIKeySYFCSHZEPVGAID-UHFFFAOYSA-N
MW234.70 g/mol
LogP1.80
Rot. Bonds4

About 4-(2-methoxyethyl)benzenesulfonyl chloride

4-(2-methoxyethyl)benzenesulfonyl chloride (PubChem CID 16788348) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 4-(2-methoxyethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-methoxyethyl)benzenesulfonyl chloride
PubChem CID16788348
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name4-(2-methoxyethyl)benzenesulfonyl chloride
SMILESCOCCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClO3S/c1-13-7-6-8-2-4-9(5-3-8)14(10,11)12/h2-5H,6-7H2,1H3
InChIKeySYFCSHZEPVGAID-UHFFFAOYSA-N
XLogP1.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)benzenesulfonyl chloride?
The IUPAC name of 4-(2-methoxyethyl)benzenesulfonyl chloride (CID 16788348) is 4-(2-methoxyethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2-methoxyethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(2-methoxyethyl)benzenesulfonyl chloride is COCCc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(2-methoxyethyl)benzenesulfonyl chloride?
The InChIKey is SYFCSHZEPVGAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-13-7-6-8-2-4-9(5-3-8)14(10,11)12/h2-5H,6-7H2,1H3.
What are the key properties of 4-(2-methoxyethyl)benzenesulfonyl chloride?
4-(2-methoxyethyl)benzenesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)benzenesulfonyl chloride is sourced from PubChem (CID 16788348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).