1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide

C17H18N4O2S — CID 86266163

IUPAC1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCn1ccnc1-c1ccccn1
InChIInChI=1S/C17H18N4O2S/c22-24(23,14-15-6-2-1-3-7-15)20-11-13-21-12-10-19-17(21)16-8-4-5-9-18-16/h1-10,12,20H,11,13-14H2
InChIKeyIREILWXWUOFFTL-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.06
Rot. Bonds7

About 1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide

1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide (PubChem CID 86266163) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide
PubChem CID86266163
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCn1ccnc1-c1ccccn1
InChIInChI=1S/C17H18N4O2S/c22-24(23,14-15-6-2-1-3-7-15)20-11-13-21-12-10-19-17(21)16-8-4-5-9-18-16/h1-10,12,20H,11,13-14H2
InChIKeyIREILWXWUOFFTL-UHFFFAOYSA-N
XLogP2.06
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide (CID 86266163) is 1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1ccccc1)NCCn1ccnc1-c1ccccn1.
What is the InChIKey of 1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is IREILWXWUOFFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-24(23,14-15-6-2-1-3-7-15)20-11-13-21-12-10-19-17(21)16-8-4-5-9-18-16/h1-10,12,20H,11,13-14H2.
What are the key properties of 1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide?
1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 86266163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).