4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride

C11H15ClO4S — CID 43134390

IUPAC4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride
SMILESCOCCOc1cc(C)c(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C11H15ClO4S/c1-8-7-11(17(12,13)14)9(2)6-10(8)16-5-4-15-3/h6-7H,4-5H2,1-3H3
InChIKeyAZICVMKSJZLZCP-UHFFFAOYSA-N
MW278.76 g/mol
LogP2.26
Rot. Bonds5

About 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride

4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride (PubChem CID 43134390) has the molecular formula C11H15ClO4S and a molecular weight of 278.76 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride
PubChem CID43134390
Molecular FormulaC11H15ClO4S
Molecular Weight278.76 g/mol
Exact Mass278.04
IUPAC Name4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride
SMILESCOCCOc1cc(C)c(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C11H15ClO4S/c1-8-7-11(17(12,13)14)9(2)6-10(8)16-5-4-15-3/h6-7H,4-5H2,1-3H3
InChIKeyAZICVMKSJZLZCP-UHFFFAOYSA-N
XLogP2.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methoxypropoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 60925970
2,5-dimethyl-4-propoxybenzenesulfonyl chloride
CID 43134395
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
CID 43164561
4-(3,3-dimethylbutoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 61481541
2,5-dimethyl-4-pentoxybenzenesulfonyl chloride
CID 43134383
2,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonyl chloride
CID 106451024
2,5-dimethyl-4-octoxybenzenesulfonyl chloride
CID 43134384
4-heptoxy-2,5-dimethylbenzenesulfonyl chloride
CID 43247011
4-but-3-ynoxy-2,5-dimethylbenzenesulfonyl chloride
CID 82910392
methyl 2-(4-chlorosulfonyl-2,5-dimethylphenoxy)acetate
CID 99109854
2,5-dimethyl-4-pent-4-enoxybenzenesulfonyl chloride
CID 82910218
4-(3-methoxypropoxy)-2-methyl-5-nitrobenzenesulfonyl chloride
CID 60925968

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride?
The IUPAC name of 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride (CID 43134390) is 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride is COCCOc1cc(C)c(S(=O)(=O)Cl)cc1C.
What is the InChIKey of 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride?
The InChIKey is AZICVMKSJZLZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4S/c1-8-7-11(17(12,13)14)9(2)6-10(8)16-5-4-15-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride?
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride has a molecular weight of 278.76 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 43134390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).