2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine

C14H13N3O2S2 — CID 2820403

IUPAC2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(-c3ccccn3)s2)n1
InChIInChI=1S/C14H13N3O2S2/c1-10-9-11(2)17(16-10)21(18,19)14-7-6-13(20-14)12-5-3-4-8-15-12/h3-9H,1-2H3
InChIKeyZRWHZHDMNANRKW-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.86
Rot. Bonds3

About 2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine

2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine (PubChem CID 2820403) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine
PubChem CID2820403
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(-c3ccccn3)s2)n1
InChIInChI=1S/C14H13N3O2S2/c1-10-9-11(2)17(16-10)21(18,19)14-7-6-13(20-14)12-5-3-4-8-15-12/h3-9H,1-2H3
InChIKeyZRWHZHDMNANRKW-UHFFFAOYSA-N
XLogP2.86
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine?
The IUPAC name of 2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine (CID 2820403) is 2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine.
What is the SMILES notation for 2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine?
The canonical SMILES for 2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine is Cc1cc(C)n(S(=O)(=O)c2ccc(-c3ccccn3)s2)n1.
What is the InChIKey of 2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine?
The InChIKey is ZRWHZHDMNANRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-10-9-11(2)17(16-10)21(18,19)14-7-6-13(20-14)12-5-3-4-8-15-12/h3-9H,1-2H3.
What are the key properties of 2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine?
2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine has a molecular weight of 319.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]pyridine is sourced from PubChem (CID 2820403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).