(E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride

C10H10Cl2O2S — CID 82486545

IUPAC(E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl2O2S/c11-10-6-4-9(5-7-10)3-1-2-8-15(12,13)14/h1,3-7H,2,8H2/b3-1+
InChIKeyHURUVNIKJFXZGV-HNQUOIGGSA-N
MW265.16 g/mol
LogP3.31
Rot. Bonds4

About (E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride

(E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride (PubChem CID 82486545) has the molecular formula C10H10Cl2O2S and a molecular weight of 265.16 g/mol. Its IUPAC name is (E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride
PubChem CID82486545
Molecular FormulaC10H10Cl2O2S
Molecular Weight265.16 g/mol
Exact Mass263.98
IUPAC Name(E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl2O2S/c11-10-6-4-9(5-7-10)3-1-2-8-15(12,13)14/h1,3-7H,2,8H2/b3-1+
InChIKeyHURUVNIKJFXZGV-HNQUOIGGSA-N
XLogP3.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride?
The IUPAC name of (E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride (CID 82486545) is (E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride.
What is the SMILES notation for (E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride?
The canonical SMILES for (E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride is O=S(=O)(Cl)CC/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride?
The InChIKey is HURUVNIKJFXZGV-HNQUOIGGSA-N. The full InChI is InChI=1S/C10H10Cl2O2S/c11-10-6-4-9(5-7-10)3-1-2-8-15(12,13)14/h1,3-7H,2,8H2/b3-1+.
What are the key properties of (E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride?
(E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride has a molecular weight of 265.16 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride is sourced from PubChem (CID 82486545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).