2-but-3-enylbenzenesulfonyl chloride

C10H11ClO2S — CID 88788313

IUPAC2-but-3-enylbenzenesulfonyl chloride
SMILESC=CCCc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClO2S/c1-2-3-6-9-7-4-5-8-10(9)14(11,12)13/h2,4-5,7-8H,1,3,6H2
InChIKeyVNZKILOJZVUIBZ-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.73
Rot. Bonds4

About 2-but-3-enylbenzenesulfonyl chloride

2-but-3-enylbenzenesulfonyl chloride (PubChem CID 88788313) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is 2-but-3-enylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-but-3-enylbenzenesulfonyl chloride
PubChem CID88788313
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name2-but-3-enylbenzenesulfonyl chloride
SMILESC=CCCc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClO2S/c1-2-3-6-9-7-4-5-8-10(9)14(11,12)13/h2,4-5,7-8H,1,3,6H2
InChIKeyVNZKILOJZVUIBZ-UHFFFAOYSA-N
XLogP2.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enylbenzenesulfonyl chloride?
The IUPAC name of 2-but-3-enylbenzenesulfonyl chloride (CID 88788313) is 2-but-3-enylbenzenesulfonyl chloride.
What is the SMILES notation for 2-but-3-enylbenzenesulfonyl chloride?
The canonical SMILES for 2-but-3-enylbenzenesulfonyl chloride is C=CCCc1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-but-3-enylbenzenesulfonyl chloride?
The InChIKey is VNZKILOJZVUIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c1-2-3-6-9-7-4-5-8-10(9)14(11,12)13/h2,4-5,7-8H,1,3,6H2.
What are the key properties of 2-but-3-enylbenzenesulfonyl chloride?
2-but-3-enylbenzenesulfonyl chloride has a molecular weight of 230.72 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enylbenzenesulfonyl chloride is sourced from PubChem (CID 88788313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).