2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine

C15H11N5O2S2 — CID 122694319

IUPAC2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine
SMILESCS(=O)(=O)c1cccc(-c2cc3cnccc3s2)c1-c1nn[nH]n1
InChIInChI=1S/C15H11N5O2S2/c1-24(21,22)13-4-2-3-10(14(13)15-17-19-20-18-15)12-7-9-8-16-6-5-11(9)23-12/h2-8H,1H3,(H,17,18,19,20)
InChIKeyZDTSGNJQWLBUQF-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.55
Rot. Bonds3

About 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine

2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine (PubChem CID 122694319) has the molecular formula C15H11N5O2S2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine
PubChem CID122694319
Molecular FormulaC15H11N5O2S2
Molecular Weight357.42 g/mol
Exact Mass357.04
IUPAC Name2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine
SMILESCS(=O)(=O)c1cccc(-c2cc3cnccc3s2)c1-c1nn[nH]n1
InChIInChI=1S/C15H11N5O2S2/c1-24(21,22)13-4-2-3-10(14(13)15-17-19-20-18-15)12-7-9-8-16-6-5-11(9)23-12/h2-8H,1H3,(H,17,18,19,20)
InChIKeyZDTSGNJQWLBUQF-UHFFFAOYSA-N
XLogP2.55
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine?
The IUPAC name of 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine (CID 122694319) is 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine.
What is the SMILES notation for 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine?
The canonical SMILES for 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine is CS(=O)(=O)c1cccc(-c2cc3cnccc3s2)c1-c1nn[nH]n1.
What is the InChIKey of 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine?
The InChIKey is ZDTSGNJQWLBUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2S2/c1-24(21,22)13-4-2-3-10(14(13)15-17-19-20-18-15)12-7-9-8-16-6-5-11(9)23-12/h2-8H,1H3,(H,17,18,19,20).
What are the key properties of 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine?
2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine has a molecular weight of 357.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine is sourced from PubChem (CID 122694319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).