4-pyridin-3-ylbenzenesulfonyl chloride

C11H8ClNO2S — CID 10682327

IUPAC4-pyridin-3-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C11H8ClNO2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H
InChIKeyUPTJKAOUCRHACW-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.68
Rot. Bonds2

About 4-pyridin-3-ylbenzenesulfonyl chloride

4-pyridin-3-ylbenzenesulfonyl chloride (PubChem CID 10682327) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is 4-pyridin-3-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-pyridin-3-ylbenzenesulfonyl chloride
PubChem CID10682327
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Name4-pyridin-3-ylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C11H8ClNO2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H
InChIKeyUPTJKAOUCRHACW-UHFFFAOYSA-N
XLogP2.68
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylbenzenesulfonyl chloride?
The IUPAC name of 4-pyridin-3-ylbenzenesulfonyl chloride (CID 10682327) is 4-pyridin-3-ylbenzenesulfonyl chloride.
What is the SMILES notation for 4-pyridin-3-ylbenzenesulfonyl chloride?
The canonical SMILES for 4-pyridin-3-ylbenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 4-pyridin-3-ylbenzenesulfonyl chloride?
The InChIKey is UPTJKAOUCRHACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H.
What are the key properties of 4-pyridin-3-ylbenzenesulfonyl chloride?
4-pyridin-3-ylbenzenesulfonyl chloride has a molecular weight of 253.71 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-ylbenzenesulfonyl chloride is sourced from PubChem (CID 10682327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).