but-2-ene-1-sulfonyl chloride

C4H7ClO2S — CID 54549687

IUPACbut-2-ene-1-sulfonyl chloride
SMILESCC=CCS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO2S/c1-2-3-4-8(5,6)7/h2-3H,4H2,1H3
InChIKeyZJAOQAVOWVZRRT-UHFFFAOYSA-N
MW154.62 g/mol
LogP1.13
Rot. Bonds2

About but-2-ene-1-sulfonyl chloride

but-2-ene-1-sulfonyl chloride (PubChem CID 54549687) has the molecular formula C4H7ClO2S and a molecular weight of 154.62 g/mol. Its IUPAC name is but-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Namebut-2-ene-1-sulfonyl chloride
PubChem CID54549687
Molecular FormulaC4H7ClO2S
Molecular Weight154.62 g/mol
Exact Mass153.99
IUPAC Namebut-2-ene-1-sulfonyl chloride
SMILESCC=CCS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO2S/c1-2-3-4-8(5,6)7/h2-3H,4H2,1H3
InChIKeyZJAOQAVOWVZRRT-UHFFFAOYSA-N
XLogP1.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.62
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Prop-2-ene-1-sulfonyl chloride
CID 534496
But-3-ene-1-sulfonyl chloride
CID 12134107
(1E)-1-Propene-1-sulfonyl chloride
CID 12508394
(E)-but-2-ene-1-sulfonic acid
CID 12712111
Sodium but-2-ene-1-sulfonate
CID 74089302
2-Propene-1-sulfonic acid, ion(1-)
CID 4447605
1-Methanesulfonyl-trans-2-butene
CID 15270286
But-2-ene-1-sulfonyl chloride
CID 15853283
Sodium (e)-2-butenesulfonate
CID 23715062
Propenesulfonyl chloride
CID 53866275
But-3-ene-2-sulfonyl chloride
CID 55280641
Sodium 3-chlorobut-2-ene-1-sulphonate
CID 23692767

Frequently Asked Questions

What is the IUPAC name of but-2-ene-1-sulfonyl chloride?
The IUPAC name of but-2-ene-1-sulfonyl chloride (CID 54549687) is but-2-ene-1-sulfonyl chloride.
What is the SMILES notation for but-2-ene-1-sulfonyl chloride?
The canonical SMILES for but-2-ene-1-sulfonyl chloride is CC=CCS(=O)(=O)Cl.
What is the InChIKey of but-2-ene-1-sulfonyl chloride?
The InChIKey is ZJAOQAVOWVZRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO2S/c1-2-3-4-8(5,6)7/h2-3H,4H2,1H3.
What are the key properties of but-2-ene-1-sulfonyl chloride?
but-2-ene-1-sulfonyl chloride has a molecular weight of 154.62 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 54549687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).