N-(6-methyl-2-pyridinyl)benzenesulfonamide

C12H12N2O2S — CID 776896

IUPACN-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C12H12N2O2S/c1-10-6-5-9-12(13-10)14-17(15,16)11-7-3-2-4-8-11/h2-9H,1H3,(H,13,14)
InChIKeyDKRBJCJLHMNGJG-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.19
Rot. Bonds3

About N-(6-methyl-2-pyridinyl)benzenesulfonamide

N-(6-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 776896) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID776896
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C12H12N2O2S/c1-10-6-5-9-12(13-10)14-17(15,16)11-7-3-2-4-8-11/h2-9H,1H3,(H,13,14)
InChIKeyDKRBJCJLHMNGJG-UHFFFAOYSA-N
XLogP2.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)benzenesulfonamide (CID 776896) is N-(6-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is DKRBJCJLHMNGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-10-6-5-9-12(13-10)14-17(15,16)11-7-3-2-4-8-11/h2-9H,1H3,(H,13,14).
What are the key properties of N-(6-methyl-2-pyridinyl)benzenesulfonamide?
N-(6-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 248.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 776896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).