4-ethenyl-3-ethylbenzenesulfonyl chloride

C10H11ClO2S — CID 175286617

IUPAC4-ethenyl-3-ethylbenzenesulfonyl chloride
SMILESC=Cc1ccc(S(=O)(=O)Cl)cc1CC
InChIInChI=1S/C10H11ClO2S/c1-3-8-5-6-10(14(11,12)13)7-9(8)4-2/h3,5-7H,1,4H2,2H3
InChIKeyRJPZYYXOSUEORB-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.82
Rot. Bonds3

About 4-ethenyl-3-ethylbenzenesulfonyl chloride

4-ethenyl-3-ethylbenzenesulfonyl chloride (PubChem CID 175286617) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is 4-ethenyl-3-ethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-ethenyl-3-ethylbenzenesulfonyl chloride
PubChem CID175286617
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name4-ethenyl-3-ethylbenzenesulfonyl chloride
SMILESC=Cc1ccc(S(=O)(=O)Cl)cc1CC
InChIInChI=1S/C10H11ClO2S/c1-3-8-5-6-10(14(11,12)13)7-9(8)4-2/h3,5-7H,1,4H2,2H3
InChIKeyRJPZYYXOSUEORB-UHFFFAOYSA-N
XLogP2.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-ethylbenzenesulfonyl chloride?
The IUPAC name of 4-ethenyl-3-ethylbenzenesulfonyl chloride (CID 175286617) is 4-ethenyl-3-ethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-ethenyl-3-ethylbenzenesulfonyl chloride?
The canonical SMILES for 4-ethenyl-3-ethylbenzenesulfonyl chloride is C=Cc1ccc(S(=O)(=O)Cl)cc1CC.
What is the InChIKey of 4-ethenyl-3-ethylbenzenesulfonyl chloride?
The InChIKey is RJPZYYXOSUEORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c1-3-8-5-6-10(14(11,12)13)7-9(8)4-2/h3,5-7H,1,4H2,2H3.
What are the key properties of 4-ethenyl-3-ethylbenzenesulfonyl chloride?
4-ethenyl-3-ethylbenzenesulfonyl chloride has a molecular weight of 230.72 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-ethylbenzenesulfonyl chloride is sourced from PubChem (CID 175286617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).