(E)-2-(3-chlorophenyl)ethenesulfonyl chloride

C8H6Cl2O2S — CID 22628233

IUPAC(E)-2-(3-chlorophenyl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C8H6Cl2O2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-6H/b5-4+
InChIKeyNSMOTSSAVGZLGC-SNAWJCMRSA-N
MW237.11 g/mol
LogP2.88
Rot. Bonds2

About (E)-2-(3-chlorophenyl)ethenesulfonyl chloride

(E)-2-(3-chlorophenyl)ethenesulfonyl chloride (PubChem CID 22628233) has the molecular formula C8H6Cl2O2S and a molecular weight of 237.11 g/mol. Its IUPAC name is (E)-2-(3-chlorophenyl)ethenesulfonyl chloride.

Molecular Properties

Compound Name(E)-2-(3-chlorophenyl)ethenesulfonyl chloride
PubChem CID22628233
Molecular FormulaC8H6Cl2O2S
Molecular Weight237.11 g/mol
Exact Mass235.95
IUPAC Name(E)-2-(3-chlorophenyl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C8H6Cl2O2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-6H/b5-4+
InChIKeyNSMOTSSAVGZLGC-SNAWJCMRSA-N
XLogP2.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.11
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-chlorophenyl)ethenesulfonyl chloride?
The IUPAC name of (E)-2-(3-chlorophenyl)ethenesulfonyl chloride (CID 22628233) is (E)-2-(3-chlorophenyl)ethenesulfonyl chloride.
What is the SMILES notation for (E)-2-(3-chlorophenyl)ethenesulfonyl chloride?
The canonical SMILES for (E)-2-(3-chlorophenyl)ethenesulfonyl chloride is O=S(=O)(Cl)/C=C/c1cccc(Cl)c1.
What is the InChIKey of (E)-2-(3-chlorophenyl)ethenesulfonyl chloride?
The InChIKey is NSMOTSSAVGZLGC-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H6Cl2O2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-6H/b5-4+.
What are the key properties of (E)-2-(3-chlorophenyl)ethenesulfonyl chloride?
(E)-2-(3-chlorophenyl)ethenesulfonyl chloride has a molecular weight of 237.11 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-chlorophenyl)ethenesulfonyl chloride is sourced from PubChem (CID 22628233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).