4-(benzenesulfonylmethyl)pyridine

C12H11NO2S — CID 3765034

IUPAC4-(benzenesulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccncc1)c1ccccc1
InChIInChI=1S/C12H11NO2S/c14-16(15,12-4-2-1-3-5-12)10-11-6-8-13-9-7-11/h1-9H,10H2
InChIKeyICAWSHPNBFDPBV-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.06
Rot. Bonds3

About 4-(benzenesulfonylmethyl)pyridine

4-(benzenesulfonylmethyl)pyridine (PubChem CID 3765034) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)pyridine.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)pyridine
PubChem CID3765034
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name4-(benzenesulfonylmethyl)pyridine
SMILESO=S(=O)(Cc1ccncc1)c1ccccc1
InChIInChI=1S/C12H11NO2S/c14-16(15,12-4-2-1-3-5-12)10-11-6-8-13-9-7-11/h1-9H,10H2
InChIKeyICAWSHPNBFDPBV-UHFFFAOYSA-N
XLogP2.06
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)pyridine?
The IUPAC name of 4-(benzenesulfonylmethyl)pyridine (CID 3765034) is 4-(benzenesulfonylmethyl)pyridine.
What is the SMILES notation for 4-(benzenesulfonylmethyl)pyridine?
The canonical SMILES for 4-(benzenesulfonylmethyl)pyridine is O=S(=O)(Cc1ccncc1)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonylmethyl)pyridine?
The InChIKey is ICAWSHPNBFDPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-16(15,12-4-2-1-3-5-12)10-11-6-8-13-9-7-11/h1-9H,10H2.
What are the key properties of 4-(benzenesulfonylmethyl)pyridine?
4-(benzenesulfonylmethyl)pyridine has a molecular weight of 233.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)pyridine is sourced from PubChem (CID 3765034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).