(E)-2-phenylethenesulfonyl chloride

C8H7ClO2S — CID 5369377

IUPAC(E)-2-phenylethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C/c1ccccc1
InChIInChI=1S/C8H7ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyONWRSBMOCIQLRK-VOTSOKGWSA-N
MW202.66 g/mol
LogP2.23
Rot. Bonds2

About (E)-2-phenylethenesulfonyl chloride

(E)-2-phenylethenesulfonyl chloride (PubChem CID 5369377) has the molecular formula C8H7ClO2S and a molecular weight of 202.66 g/mol. Its IUPAC name is (E)-2-phenylethenesulfonyl chloride.

Molecular Properties

Compound Name(E)-2-phenylethenesulfonyl chloride
PubChem CID5369377
Molecular FormulaC8H7ClO2S
Molecular Weight202.66 g/mol
Exact Mass201.99
IUPAC Name(E)-2-phenylethenesulfonyl chloride
SMILESO=S(=O)(Cl)/C=C/c1ccccc1
InChIInChI=1S/C8H7ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyONWRSBMOCIQLRK-VOTSOKGWSA-N
XLogP2.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-phenylethenesulfonyl chloride?
The IUPAC name of (E)-2-phenylethenesulfonyl chloride (CID 5369377) is (E)-2-phenylethenesulfonyl chloride.
What is the SMILES notation for (E)-2-phenylethenesulfonyl chloride?
The canonical SMILES for (E)-2-phenylethenesulfonyl chloride is O=S(=O)(Cl)/C=C/c1ccccc1.
What is the InChIKey of (E)-2-phenylethenesulfonyl chloride?
The InChIKey is ONWRSBMOCIQLRK-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H7ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+.
What are the key properties of (E)-2-phenylethenesulfonyl chloride?
(E)-2-phenylethenesulfonyl chloride has a molecular weight of 202.66 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenylethenesulfonyl chloride is sourced from PubChem (CID 5369377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).