5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride

C9H10Cl2O3S — CID 18700405

IUPAC5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(CCCl)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H10Cl2O3S/c1-14-8-3-2-7(4-5-10)6-9(8)15(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeyWDZZGOZLNPJVFE-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.40
Rot. Bonds4

About 5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride

5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride (PubChem CID 18700405) has the molecular formula C9H10Cl2O3S and a molecular weight of 269.15 g/mol. Its IUPAC name is 5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride
PubChem CID18700405
Molecular FormulaC9H10Cl2O3S
Molecular Weight269.15 g/mol
Exact Mass267.97
IUPAC Name5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(CCCl)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H10Cl2O3S/c1-14-8-3-2-7(4-5-10)6-9(8)15(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeyWDZZGOZLNPJVFE-UHFFFAOYSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-chloroethyl)-2-methoxybenzenesulfonyl 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

2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride
CID 13106258
2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate
CID 65374498
5-[2-(butylamino)-2-oxoethyl]-2-methoxybenzenesulfonyl chloride
CID 65367934
4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
CID 68520783
5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
CID 84711706
4-(2-chloroethyl)-1-methoxy-2-nitrobenzene
CID 19438355
2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride
CID 102701097
6-(2-chloroethyl)-2,3-dimethoxynaphthalene
CID 20541850
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
5-(dihydroxymethyl)-2-methoxybenzenesulfonyl chloride
CID 134424202
O-[2-(4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365224
5-(3-aminopropyl)-2-methoxybenzenesulfonic acid
CID 170867430

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride (CID 18700405) is 5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride is COc1ccc(CCCl)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride?
The InChIKey is WDZZGOZLNPJVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O3S/c1-14-8-3-2-7(4-5-10)6-9(8)15(11,12)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride?
5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride has a molecular weight of 269.15 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 18700405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).