2-benzylsulfonyl-3-chloropyridine

C12H10ClNO2S — CID 134114181

IUPAC2-benzylsulfonyl-3-chloropyridine
SMILESO=S(=O)(Cc1ccccc1)c1ncccc1Cl
InChIInChI=1S/C12H10ClNO2S/c13-11-7-4-8-14-12(11)17(15,16)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyMWUYYULNJXTYGE-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.71
Rot. Bonds3

About 2-benzylsulfonyl-3-chloropyridine

2-benzylsulfonyl-3-chloropyridine (PubChem CID 134114181) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-benzylsulfonyl-3-chloropyridine.

Molecular Properties

Compound Name2-benzylsulfonyl-3-chloropyridine
PubChem CID134114181
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name2-benzylsulfonyl-3-chloropyridine
SMILESO=S(=O)(Cc1ccccc1)c1ncccc1Cl
InChIInChI=1S/C12H10ClNO2S/c13-11-7-4-8-14-12(11)17(15,16)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyMWUYYULNJXTYGE-UHFFFAOYSA-N
XLogP2.71
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-3-chloropyridine?
The IUPAC name of 2-benzylsulfonyl-3-chloropyridine (CID 134114181) is 2-benzylsulfonyl-3-chloropyridine.
What is the SMILES notation for 2-benzylsulfonyl-3-chloropyridine?
The canonical SMILES for 2-benzylsulfonyl-3-chloropyridine is O=S(=O)(Cc1ccccc1)c1ncccc1Cl.
What is the InChIKey of 2-benzylsulfonyl-3-chloropyridine?
The InChIKey is MWUYYULNJXTYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c13-11-7-4-8-14-12(11)17(15,16)9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 2-benzylsulfonyl-3-chloropyridine?
2-benzylsulfonyl-3-chloropyridine has a molecular weight of 267.74 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-3-chloropyridine is sourced from PubChem (CID 134114181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).