N-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide

C13H14N2O2S — CID 798778

IUPACN-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide
SMILESCc1cccc(NS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C13H14N2O2S/c1-11-6-5-9-13(14-11)15-18(16,17)10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,14,15)
InChIKeyAZZXASAEYAGPMJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.33
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide

N-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide (PubChem CID 798778) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide
PubChem CID798778
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide
SMILESCc1cccc(NS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C13H14N2O2S/c1-11-6-5-9-13(14-11)15-18(16,17)10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,14,15)
InChIKeyAZZXASAEYAGPMJ-UHFFFAOYSA-N
XLogP2.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.33
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)-1-phenylmethanesulfonamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide (CID 798778) is N-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide is Cc1cccc(NS(=O)(=O)Cc2ccccc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide?
The InChIKey is AZZXASAEYAGPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-11-6-5-9-13(14-11)15-18(16,17)10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,14,15).
What are the key properties of N-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide?
N-(6-methyl-2-pyridinyl)-1-phenylmethanesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 2.33, 4 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)-1-phenylmethanesulfonamide is sourced from PubChem (CID 798778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).