1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol

C15H15N5O3S — CID 51102166

IUPAC1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)Cn2nnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H15N5O3S/c1-24(22,23)13-6-4-11(5-7-13)14(21)10-20-18-15(17-19-20)12-3-2-8-16-9-12/h2-9,14,21H,10H2,1H3
InChIKeyKGHKFZWZXBQNMW-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.87
Rot. Bonds5

About 1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol

1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol (PubChem CID 51102166) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol
PubChem CID51102166
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)Cn2nnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C15H15N5O3S/c1-24(22,23)13-6-4-11(5-7-13)14(21)10-20-18-15(17-19-20)12-3-2-8-16-9-12/h2-9,14,21H,10H2,1H3
InChIKeyKGHKFZWZXBQNMW-UHFFFAOYSA-N
XLogP0.87
TPSA110.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol (CID 51102166) is 1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol is CS(=O)(=O)c1ccc(C(O)Cn2nnc(-c3cccnc3)n2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol?
The InChIKey is KGHKFZWZXBQNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-24(22,23)13-6-4-11(5-7-13)14(21)10-20-18-15(17-19-20)12-3-2-8-16-9-12/h2-9,14,21H,10H2,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol?
1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol has a molecular weight of 345.38 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol is sourced from PubChem (CID 51102166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).