2-(4-chlorophenyl)sulfonylpyridine

C11H8ClNO2S — CID 699459

IUPAC2-(4-chlorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C11H8ClNO2S/c12-9-4-6-10(7-5-9)16(14,15)11-3-1-2-8-13-11/h1-8H
InChIKeyMRHBASRZECIVCE-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.57
Rot. Bonds2

About 2-(4-chlorophenyl)sulfonylpyridine

2-(4-chlorophenyl)sulfonylpyridine (PubChem CID 699459) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonylpyridine
PubChem CID699459
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Name2-(4-chlorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C11H8ClNO2S/c12-9-4-6-10(7-5-9)16(14,15)11-3-1-2-8-13-11/h1-8H
InChIKeyMRHBASRZECIVCE-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonylpyridine?
The IUPAC name of 2-(4-chlorophenyl)sulfonylpyridine (CID 699459) is 2-(4-chlorophenyl)sulfonylpyridine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonylpyridine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonylpyridine is O=S(=O)(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonylpyridine?
The InChIKey is MRHBASRZECIVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S/c12-9-4-6-10(7-5-9)16(14,15)11-3-1-2-8-13-11/h1-8H.
What are the key properties of 2-(4-chlorophenyl)sulfonylpyridine?
2-(4-chlorophenyl)sulfonylpyridine has a molecular weight of 253.71 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonylpyridine is sourced from PubChem (CID 699459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).