2-(2-methoxyethyl)benzenesulfonyl chloride

C9H11ClO3S — CID 102853291

IUPAC2-(2-methoxyethyl)benzenesulfonyl chloride
SMILESCOCCc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C9H11ClO3S/c1-13-7-6-8-4-2-3-5-9(8)14(10,11)12/h2-5H,6-7H2,1H3
InChIKeyWLCFPPNIIRCDTF-UHFFFAOYSA-N
MW234.70 g/mol
LogP1.80
Rot. Bonds4

About 2-(2-methoxyethyl)benzenesulfonyl chloride

2-(2-methoxyethyl)benzenesulfonyl chloride (PubChem CID 102853291) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 2-(2-methoxyethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(2-methoxyethyl)benzenesulfonyl chloride
PubChem CID102853291
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name2-(2-methoxyethyl)benzenesulfonyl chloride
SMILESCOCCc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C9H11ClO3S/c1-13-7-6-8-4-2-3-5-9(8)14(10,11)12/h2-5H,6-7H2,1H3
InChIKeyWLCFPPNIIRCDTF-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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Related Compounds

2-(2-methoxyethoxy)benzenesulfonyl chloride
CID 75466193
2-methoxyethyl 2-chlorosulfonylbenzoate
CID 11572692
2-(methoxymethoxy)benzenesulfonyl chloride
CID 131454177
2-(bromomethyl)benzenesulfonyl chloride
CID 13364626
2-(methylsulfinylmethyl)benzenesulfonyl chloride
CID 104721917
1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
CID 102907633
2-[2-(2-nitrophenyl)ethyl]benzenesulfonyl chloride
CID 107334851
tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate
CID 70579626
2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride
CID 175438456
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
1-[2-(2-methoxyethyl)phenyl]-3-methylsulfonylpropane-1,2,3-triol
CID 21289593
4-(2-methoxyethyl)-5-methylthiophene-2-sulfonyl chloride
CID 86630948

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)benzenesulfonyl chloride?
The IUPAC name of 2-(2-methoxyethyl)benzenesulfonyl chloride (CID 102853291) is 2-(2-methoxyethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-(2-methoxyethyl)benzenesulfonyl chloride?
The canonical SMILES for 2-(2-methoxyethyl)benzenesulfonyl chloride is COCCc1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-(2-methoxyethyl)benzenesulfonyl chloride?
The InChIKey is WLCFPPNIIRCDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-13-7-6-8-4-2-3-5-9(8)14(10,11)12/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-methoxyethyl)benzenesulfonyl chloride?
2-(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 2-(2-methoxyethyl)benzenesulfonyl chloride is sourced from PubChem (CID 102853291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).