2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol

C19H17N5O3S — CID 122694366

IUPAC2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol
SMILESCS(=O)(=O)c1c(CCO)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1
InChIInChI=1S/C19H17N5O3S/c1-28(26,27)18-12(9-11-25)7-8-15(17(18)19-21-23-24-22-19)13-4-2-6-16-14(13)5-3-10-20-16/h2-8,10,25H,9,11H2,1H3,(H,21,22,23,24)
InChIKeyAUMCCGYWBOVPAU-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.02
Rot. Bonds5

About 2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol

2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol (PubChem CID 122694366) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol
PubChem CID122694366
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol
SMILESCS(=O)(=O)c1c(CCO)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1
InChIInChI=1S/C19H17N5O3S/c1-28(26,27)18-12(9-11-25)7-8-15(17(18)19-21-23-24-22-19)13-4-2-6-16-14(13)5-3-10-20-16/h2-8,10,25H,9,11H2,1H3,(H,21,22,23,24)
InChIKeyAUMCCGYWBOVPAU-UHFFFAOYSA-N
XLogP2.02
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol?
The IUPAC name of 2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol (CID 122694366) is 2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol.
What is the SMILES notation for 2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol?
The canonical SMILES for 2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol is CS(=O)(=O)c1c(CCO)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1.
What is the InChIKey of 2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol?
The InChIKey is AUMCCGYWBOVPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-28(26,27)18-12(9-11-25)7-8-15(17(18)19-21-23-24-22-19)13-4-2-6-16-14(13)5-3-10-20-16/h2-8,10,25H,9,11H2,1H3,(H,21,22,23,24).
What are the key properties of 2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol?
2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol has a molecular weight of 395.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylsulfonyl-4-quinolin-5-yl-3-(2H-tetrazol-5-yl)phenyl]ethanol is sourced from PubChem (CID 122694366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).