4-thiophen-2-ylbenzenesulfonyl chloride

C10H7ClO2S2 — CID 18387759

IUPAC4-thiophen-2-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C10H7ClO2S2/c11-15(12,13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H
InChIKeyIRDZCMUQNGEQEP-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.34
Rot. Bonds2

About 4-thiophen-2-ylbenzenesulfonyl chloride

4-thiophen-2-ylbenzenesulfonyl chloride (PubChem CID 18387759) has the molecular formula C10H7ClO2S2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-thiophen-2-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-thiophen-2-ylbenzenesulfonyl chloride
PubChem CID18387759
Molecular FormulaC10H7ClO2S2
Molecular Weight258.75 g/mol
Exact Mass257.96
IUPAC Name4-thiophen-2-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C10H7ClO2S2/c11-15(12,13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H
InChIKeyIRDZCMUQNGEQEP-UHFFFAOYSA-N
XLogP3.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylbenzenesulfonyl chloride?
The IUPAC name of 4-thiophen-2-ylbenzenesulfonyl chloride (CID 18387759) is 4-thiophen-2-ylbenzenesulfonyl chloride.
What is the SMILES notation for 4-thiophen-2-ylbenzenesulfonyl chloride?
The canonical SMILES for 4-thiophen-2-ylbenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2cccs2)cc1.
What is the InChIKey of 4-thiophen-2-ylbenzenesulfonyl chloride?
The InChIKey is IRDZCMUQNGEQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2S2/c11-15(12,13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H.
What are the key properties of 4-thiophen-2-ylbenzenesulfonyl chloride?
4-thiophen-2-ylbenzenesulfonyl chloride has a molecular weight of 258.75 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylbenzenesulfonyl chloride is sourced from PubChem (CID 18387759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).