5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine

C14H11ClN4O2S — CID 140633891

IUPAC5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccccn2)cn1
InChIInChI=1S/C14H11ClN4O2S/c1-22(20,21)12-6-5-10(8-17-12)19-9-18-14(15)13(19)11-4-2-3-7-16-11/h2-9H,1H3
InChIKeyQYVFOEWOAMAAGN-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.39
Rot. Bonds3

About 5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine

5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine (PubChem CID 140633891) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine.

Molecular Properties

Compound Name5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine
PubChem CID140633891
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC Name5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccccn2)cn1
InChIInChI=1S/C14H11ClN4O2S/c1-22(20,21)12-6-5-10(8-17-12)19-9-18-14(15)13(19)11-4-2-3-7-16-11/h2-9H,1H3
InChIKeyQYVFOEWOAMAAGN-UHFFFAOYSA-N
XLogP2.39
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chloro-5-phenylimidazol-1-yl)-2-methylsulfonylpyridine
CID 57333935
2-methylsulfonyl-5-(5-pyridin-2-ylimidazol-1-yl)pyridine
CID 172855995
5-[4-chloro-5-(3-fluorophenyl)imidazol-1-yl]-2-methylsulfonylpyridine
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5-[4-chloro-5-(4-chloro-4-methoxy-3H-pyridin-5-yl)imidazol-1-yl]-2-methylsulfonylpyridine
CID 57334242
2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine
CID 21221511
1-(4-chlorophenyl)-2-methylsulfonylimidazole
CID 82132275
sodium 4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonate
CID 23702360
3-[4-[1-(6-methyl-3-pyridinyl)-4-pyridin-2-ylimidazol-2-yl]phenyl]imidazo[4,5-b]pyridine
CID 25031923
6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine
CID 43675312
formyl chloride;2-phenylpyridine
CID 175066008
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
2-(4-tert-butylsulfonylphenyl)pyridine
CID 102234963

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine?
The IUPAC name of 5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine (CID 140633891) is 5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine.
What is the SMILES notation for 5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine?
The canonical SMILES for 5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccccn2)cn1.
What is the InChIKey of 5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine?
The InChIKey is QYVFOEWOAMAAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c1-22(20,21)12-6-5-10(8-17-12)19-9-18-14(15)13(19)11-4-2-3-7-16-11/h2-9H,1H3.
What are the key properties of 5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine?
5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine has a molecular weight of 334.79 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-5-pyridin-2-ylimidazol-1-yl)-2-methylsulfonylpyridine is sourced from PubChem (CID 140633891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).