4,5-diphenylthiophene-2-sulfonyl chloride

C16H11ClO2S2 — CID 22400918

IUPAC4,5-diphenylthiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C16H11ClO2S2/c17-21(18,19)15-11-14(12-7-3-1-4-8-12)16(20-15)13-9-5-2-6-10-13/h1-11H
InChIKeySHVWAWQQGHURMO-UHFFFAOYSA-N
MW334.85 g/mol
LogP5.01
Rot. Bonds3

About 4,5-diphenylthiophene-2-sulfonyl chloride

4,5-diphenylthiophene-2-sulfonyl chloride (PubChem CID 22400918) has the molecular formula C16H11ClO2S2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 4,5-diphenylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4,5-diphenylthiophene-2-sulfonyl chloride
PubChem CID22400918
Molecular FormulaC16H11ClO2S2
Molecular Weight334.85 g/mol
Exact Mass333.99
IUPAC Name4,5-diphenylthiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C16H11ClO2S2/c17-21(18,19)15-11-14(12-7-3-1-4-8-12)16(20-15)13-9-5-2-6-10-13/h1-11H
InChIKeySHVWAWQQGHURMO-UHFFFAOYSA-N
XLogP5.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenylthiophene-2-sulfonyl chloride?
The IUPAC name of 4,5-diphenylthiophene-2-sulfonyl chloride (CID 22400918) is 4,5-diphenylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 4,5-diphenylthiophene-2-sulfonyl chloride?
The canonical SMILES for 4,5-diphenylthiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1cc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 4,5-diphenylthiophene-2-sulfonyl chloride?
The InChIKey is SHVWAWQQGHURMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2S2/c17-21(18,19)15-11-14(12-7-3-1-4-8-12)16(20-15)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 4,5-diphenylthiophene-2-sulfonyl chloride?
4,5-diphenylthiophene-2-sulfonyl chloride has a molecular weight of 334.85 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 22400918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).