N-(5-phenyl-3-pyridinyl)ethanesulfonamide

C13H14N2O2S — CID 110713738

IUPACN-(5-phenyl-3-pyridinyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cncc(-c2ccccc2)c1
InChIInChI=1S/C13H14N2O2S/c1-2-18(16,17)15-13-8-12(9-14-10-13)11-6-4-3-5-7-11/h3-10,15H,2H2,1H3
InChIKeyLUBBKAIKKCPODR-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.51
Rot. Bonds4

About N-(5-phenyl-3-pyridinyl)ethanesulfonamide

N-(5-phenyl-3-pyridinyl)ethanesulfonamide (PubChem CID 110713738) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(5-phenyl-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-phenyl-3-pyridinyl)ethanesulfonamide
PubChem CID110713738
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(5-phenyl-3-pyridinyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cncc(-c2ccccc2)c1
InChIInChI=1S/C13H14N2O2S/c1-2-18(16,17)15-13-8-12(9-14-10-13)11-6-4-3-5-7-11/h3-10,15H,2H2,1H3
InChIKeyLUBBKAIKKCPODR-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-3-pyridinyl)ethanesulfonamide?
The IUPAC name of N-(5-phenyl-3-pyridinyl)ethanesulfonamide (CID 110713738) is N-(5-phenyl-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for N-(5-phenyl-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for N-(5-phenyl-3-pyridinyl)ethanesulfonamide is CCS(=O)(=O)Nc1cncc(-c2ccccc2)c1.
What is the InChIKey of N-(5-phenyl-3-pyridinyl)ethanesulfonamide?
The InChIKey is LUBBKAIKKCPODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-18(16,17)15-13-8-12(9-14-10-13)11-6-4-3-5-7-11/h3-10,15H,2H2,1H3.
What are the key properties of N-(5-phenyl-3-pyridinyl)ethanesulfonamide?
N-(5-phenyl-3-pyridinyl)ethanesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 110713738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).