4-(benzenesulfonyl)-2-methylpyridine

C12H11NO2S — CID 154722250

IUPAC4-(benzenesulfonyl)-2-methylpyridine
SMILESCc1cc(S(=O)(=O)c2ccccc2)ccn1
InChIInChI=1S/C12H11NO2S/c1-10-9-12(7-8-13-10)16(14,15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyCROMBJCHJOJMGM-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.22
Rot. Bonds2

About 4-(benzenesulfonyl)-2-methylpyridine

4-(benzenesulfonyl)-2-methylpyridine (PubChem CID 154722250) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-methylpyridine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-methylpyridine
PubChem CID154722250
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name4-(benzenesulfonyl)-2-methylpyridine
SMILESCc1cc(S(=O)(=O)c2ccccc2)ccn1
InChIInChI=1S/C12H11NO2S/c1-10-9-12(7-8-13-10)16(14,15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyCROMBJCHJOJMGM-UHFFFAOYSA-N
XLogP2.22
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-methylpyridine?
The IUPAC name of 4-(benzenesulfonyl)-2-methylpyridine (CID 154722250) is 4-(benzenesulfonyl)-2-methylpyridine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-methylpyridine?
The canonical SMILES for 4-(benzenesulfonyl)-2-methylpyridine is Cc1cc(S(=O)(=O)c2ccccc2)ccn1.
What is the InChIKey of 4-(benzenesulfonyl)-2-methylpyridine?
The InChIKey is CROMBJCHJOJMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-10-9-12(7-8-13-10)16(14,15)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-methylpyridine?
4-(benzenesulfonyl)-2-methylpyridine has a molecular weight of 233.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-methylpyridine is sourced from PubChem (CID 154722250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).