4-ethoxy-3-phenylbenzenesulfonyl chloride

C14H13ClO3S — CID 43246996

IUPAC4-ethoxy-3-phenylbenzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1-c1ccccc1
InChIInChI=1S/C14H13ClO3S/c1-2-18-14-9-8-12(19(15,16)17)10-13(14)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyLPARWRBLYOTAOF-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.68
Rot. Bonds4

About 4-ethoxy-3-phenylbenzenesulfonyl chloride

4-ethoxy-3-phenylbenzenesulfonyl chloride (PubChem CID 43246996) has the molecular formula C14H13ClO3S and a molecular weight of 296.78 g/mol. Its IUPAC name is 4-ethoxy-3-phenylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-ethoxy-3-phenylbenzenesulfonyl chloride
PubChem CID43246996
Molecular FormulaC14H13ClO3S
Molecular Weight296.78 g/mol
Exact Mass296.03
IUPAC Name4-ethoxy-3-phenylbenzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1-c1ccccc1
InChIInChI=1S/C14H13ClO3S/c1-2-18-14-9-8-12(19(15,16)17)10-13(14)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyLPARWRBLYOTAOF-UHFFFAOYSA-N
XLogP3.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-phenylbenzenesulfonyl chloride?
The IUPAC name of 4-ethoxy-3-phenylbenzenesulfonyl chloride (CID 43246996) is 4-ethoxy-3-phenylbenzenesulfonyl chloride.
What is the SMILES notation for 4-ethoxy-3-phenylbenzenesulfonyl chloride?
The canonical SMILES for 4-ethoxy-3-phenylbenzenesulfonyl chloride is CCOc1ccc(S(=O)(=O)Cl)cc1-c1ccccc1.
What is the InChIKey of 4-ethoxy-3-phenylbenzenesulfonyl chloride?
The InChIKey is LPARWRBLYOTAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3S/c1-2-18-14-9-8-12(19(15,16)17)10-13(14)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of 4-ethoxy-3-phenylbenzenesulfonyl chloride?
4-ethoxy-3-phenylbenzenesulfonyl chloride has a molecular weight of 296.78 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-phenylbenzenesulfonyl chloride is sourced from PubChem (CID 43246996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).