(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride

C16H11Cl3O5S2 — CID 157305166

IUPAC(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride
SMILESO=S(=O)(Cl)/C=C/c1ccc(-c2cc3ccccc3o2)cc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C16H11ClO3S.Cl2O2S/c17-21(18,19)10-9-12-5-7-13(8-6-12)16-11-14-3-1-2-4-15(14)20-16;1-5(2,3)4/h1-11H;/b10-9+;
InChIKeyBCJMLBDNJZSQAZ-RRABGKBLSA-N
MW453.75 g/mol
LogP5.35
Rot. Bonds3

About (E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride

(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride (PubChem CID 157305166) has the molecular formula C16H11Cl3O5S2 and a molecular weight of 453.75 g/mol. Its IUPAC name is (E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride.

Molecular Properties

Compound Name(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride
PubChem CID157305166
Molecular FormulaC16H11Cl3O5S2
Molecular Weight453.75 g/mol
Exact Mass451.91
IUPAC Name(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride
SMILESO=S(=O)(Cl)/C=C/c1ccc(-c2cc3ccccc3o2)cc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C16H11ClO3S.Cl2O2S/c17-21(18,19)10-9-12-5-7-13(8-6-12)16-11-14-3-1-2-4-15(14)20-16;1-5(2,3)4/h1-11H;/b10-9+;
InChIKeyBCJMLBDNJZSQAZ-RRABGKBLSA-N
XLogP5.35
TPSA81.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.75
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran
CID 88836846
2-[4-[2-(2-sulfamoyl-N-sulfinoanilino)ethenyl]phenyl]-1-benzofuran
CID 173483595
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
2-(4-nitrophenyl)-1-benzofuran
CID 638459
2-[3-(4-chlorophenyl)phenyl]-1-benzofuran
CID 170402405
2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde
CID 170403113
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662
2-(3-chloro-5-phenylphenyl)-1-benzofuran
CID 144661171
2-[4-(3-methylphenyl)phenyl]-1-benzofuran
CID 132966930

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride?
The IUPAC name of (E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride (CID 157305166) is (E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride.
What is the SMILES notation for (E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride?
The canonical SMILES for (E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride is O=S(=O)(Cl)/C=C/c1ccc(-c2cc3ccccc3o2)cc1.O=S(=O)(Cl)Cl.
What is the InChIKey of (E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride?
The InChIKey is BCJMLBDNJZSQAZ-RRABGKBLSA-N. The full InChI is InChI=1S/C16H11ClO3S.Cl2O2S/c17-21(18,19)10-9-12-5-7-13(8-6-12)16-11-14-3-1-2-4-15(14)20-16;1-5(2,3)4/h1-11H;/b10-9+;.
What are the key properties of (E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride?
(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride has a molecular weight of 453.75 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenesulfonyl chloride;sulfuryl dichloride is sourced from PubChem (CID 157305166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).