N-(2-pyridin-4-ylphenyl)ethanesulfonamide

C13H14N2O2S — CID 86799036

IUPACN-(2-pyridin-4-ylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1-c1ccncc1
InChIInChI=1S/C13H14N2O2S/c1-2-18(16,17)15-13-6-4-3-5-12(13)11-7-9-14-10-8-11/h3-10,15H,2H2,1H3
InChIKeyXESBAPCXXZVLAJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.51
Rot. Bonds4

About N-(2-pyridin-4-ylphenyl)ethanesulfonamide

N-(2-pyridin-4-ylphenyl)ethanesulfonamide (PubChem CID 86799036) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(2-pyridin-4-ylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-pyridin-4-ylphenyl)ethanesulfonamide
PubChem CID86799036
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(2-pyridin-4-ylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1-c1ccncc1
InChIInChI=1S/C13H14N2O2S/c1-2-18(16,17)15-13-6-4-3-5-12(13)11-7-9-14-10-8-11/h3-10,15H,2H2,1H3
InChIKeyXESBAPCXXZVLAJ-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-(2-pyridin-4-ylphenyl)ethanesulfonamide?
The IUPAC name of N-(2-pyridin-4-ylphenyl)ethanesulfonamide (CID 86799036) is N-(2-pyridin-4-ylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-pyridin-4-ylphenyl)ethanesulfonamide?
The canonical SMILES for N-(2-pyridin-4-ylphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccccc1-c1ccncc1.
What is the InChIKey of N-(2-pyridin-4-ylphenyl)ethanesulfonamide?
The InChIKey is XESBAPCXXZVLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-18(16,17)15-13-6-4-3-5-12(13)11-7-9-14-10-8-11/h3-10,15H,2H2,1H3.
What are the key properties of N-(2-pyridin-4-ylphenyl)ethanesulfonamide?
N-(2-pyridin-4-ylphenyl)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-(2-pyridin-4-ylphenyl)ethanesulfonamide is sourced from PubChem (CID 86799036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).