3-ethyl-4-methoxybenzenesulfonyl chloride

C9H11ClO3S — CID 15915323

IUPAC3-ethyl-4-methoxybenzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)ccc1OC
InChIInChI=1S/C9H11ClO3S/c1-3-7-6-8(14(10,11)12)4-5-9(7)13-2/h4-6H,3H2,1-2H3
InChIKeyLKFURLPDNDFSNK-UHFFFAOYSA-N
MW234.70 g/mol
LogP2.19
Rot. Bonds3

About 3-ethyl-4-methoxybenzenesulfonyl chloride

3-ethyl-4-methoxybenzenesulfonyl chloride (PubChem CID 15915323) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 3-ethyl-4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-ethyl-4-methoxybenzenesulfonyl chloride
PubChem CID15915323
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name3-ethyl-4-methoxybenzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)ccc1OC
InChIInChI=1S/C9H11ClO3S/c1-3-7-6-8(14(10,11)12)4-5-9(7)13-2/h4-6H,3H2,1-2H3
InChIKeyLKFURLPDNDFSNK-UHFFFAOYSA-N
XLogP2.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxybenzenesulfonyl chloride?
The IUPAC name of 3-ethyl-4-methoxybenzenesulfonyl chloride (CID 15915323) is 3-ethyl-4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-ethyl-4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3-ethyl-4-methoxybenzenesulfonyl chloride is CCc1cc(S(=O)(=O)Cl)ccc1OC.
What is the InChIKey of 3-ethyl-4-methoxybenzenesulfonyl chloride?
The InChIKey is LKFURLPDNDFSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-3-7-6-8(14(10,11)12)4-5-9(7)13-2/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-methoxybenzenesulfonyl chloride?
3-ethyl-4-methoxybenzenesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 15915323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).