2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide

C8H5Cl3O5S2 — CID 161252073

IUPAC2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide
SMILESO=S(=O)(Cl)C=Cc1ccc(Cl)c(Cl)c1.O=S(=O)=O
InChIInChI=1S/C8H5Cl3O2S.O3S/c9-7-2-1-6(5-8(7)10)3-4-14(11,12)13;1-4(2)3/h1-5H;
InChIKeyVBJZBKFIHGDNPE-UHFFFAOYSA-N
MW351.62 g/mol
LogP2.53
Rot. Bonds2

About 2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide

2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide (PubChem CID 161252073) has the molecular formula C8H5Cl3O5S2 and a molecular weight of 351.62 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide
PubChem CID161252073
Molecular FormulaC8H5Cl3O5S2
Molecular Weight351.62 g/mol
Exact Mass349.86
IUPAC Name2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide
SMILESO=S(=O)(Cl)C=Cc1ccc(Cl)c(Cl)c1.O=S(=O)=O
InChIInChI=1S/C8H5Cl3O2S.O3S/c9-7-2-1-6(5-8(7)10)3-4-14(11,12)13;1-4(2)3/h1-5H;
InChIKeyVBJZBKFIHGDNPE-UHFFFAOYSA-N
XLogP2.53
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonyl-N'-methylethanimidamide
CID 23469531
(E)-2-(4-acetamidophenyl)ethenesulfonyl chloride
CID 23469627
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopropanecarboximidamide
CID 23469632
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclopentanecarboximidamide
CID 70566852
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylcyclobutanecarboximidamide
CID 23469548
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfonylbutanimidamide
CID 70566201
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
(E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride
CID 55280423
3-(3,4-dichlorophenyl)-2-methylprop-2-enal
CID 79331938
1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene
CID 173033063
1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene
CID 68558438
(E)-2-(4-methyl-3-nitrophenyl)ethenesulfonyl chloride
CID 43532195

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide?
The IUPAC name of 2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide (CID 161252073) is 2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide?
The canonical SMILES for 2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide is O=S(=O)(Cl)C=Cc1ccc(Cl)c(Cl)c1.O=S(=O)=O.
What is the InChIKey of 2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide?
The InChIKey is VBJZBKFIHGDNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3O2S.O3S/c9-7-2-1-6(5-8(7)10)3-4-14(11,12)13;1-4(2)3/h1-5H;.
What are the key properties of 2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide?
2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide has a molecular weight of 351.62 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide is sourced from PubChem (CID 161252073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).