2-(2-methoxyethoxy)benzenesulfonyl chloride

C9H11ClO4S — CID 75466193

IUPAC2-(2-methoxyethoxy)benzenesulfonyl chloride
SMILESCOCCOc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C9H11ClO4S/c1-13-6-7-14-8-4-2-3-5-9(8)15(10,11)12/h2-5H,6-7H2,1H3
InChIKeyVMMRLRFODPRYFN-UHFFFAOYSA-N
MW250.70 g/mol
LogP1.64
Rot. Bonds5

About 2-(2-methoxyethoxy)benzenesulfonyl chloride

2-(2-methoxyethoxy)benzenesulfonyl chloride (PubChem CID 75466193) has the molecular formula C9H11ClO4S and a molecular weight of 250.70 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(2-methoxyethoxy)benzenesulfonyl chloride
PubChem CID75466193
Molecular FormulaC9H11ClO4S
Molecular Weight250.70 g/mol
Exact Mass250.01
IUPAC Name2-(2-methoxyethoxy)benzenesulfonyl chloride
SMILESCOCCOc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C9H11ClO4S/c1-13-6-7-14-8-4-2-3-5-9(8)15(10,11)12/h2-5H,6-7H2,1H3
InChIKeyVMMRLRFODPRYFN-UHFFFAOYSA-N
XLogP1.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethoxy)benzenesulfonyl chloride
CID 131454177
2-butoxybenzenesulfonyl chloride
CID 21253032
2-pentoxybenzenesulfonyl chloride
CID 87516954
2-(2-chlorosulfonylphenoxy)acetic acid
CID 54560500
3-chlorosulfonyl-4-(2-methoxyethoxy)benzoic acid
CID 43145264
2-(2-methoxyethyl)benzenesulfonyl chloride
CID 102853291
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 43134390
5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride
CID 103409266
2-methoxyethyl 2-chlorosulfonylbenzoate
CID 11572692
phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate
CID 71420541
5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
CID 104647311
2-(2-methylsulfonylphenoxy)ethyl methanesulfonate
CID 121418636

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)benzenesulfonyl chloride?
The IUPAC name of 2-(2-methoxyethoxy)benzenesulfonyl chloride (CID 75466193) is 2-(2-methoxyethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2-(2-methoxyethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2-(2-methoxyethoxy)benzenesulfonyl chloride is COCCOc1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-(2-methoxyethoxy)benzenesulfonyl chloride?
The InChIKey is VMMRLRFODPRYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO4S/c1-13-6-7-14-8-4-2-3-5-9(8)15(10,11)12/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)benzenesulfonyl chloride?
2-(2-methoxyethoxy)benzenesulfonyl chloride has a molecular weight of 250.70 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 75466193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).