[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol

C14H13N5O3S — CID 122694256

IUPAC[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol
SMILESCS(=O)(=O)c1cccc(-c2ccc(CO)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C14H13N5O3S/c1-23(21,22)12-4-2-3-11(13(12)14-16-18-19-17-14)9-5-6-10(8-20)15-7-9/h2-7,20H,8H2,1H3,(H,16,17,18,19)
InChIKeyFJGHYXXFCDFXAY-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.82
Rot. Bonds4

About [5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol

[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol (PubChem CID 122694256) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is [5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol
PubChem CID122694256
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC Name[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol
SMILESCS(=O)(=O)c1cccc(-c2ccc(CO)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C14H13N5O3S/c1-23(21,22)12-4-2-3-11(13(12)14-16-18-19-17-14)9-5-6-10(8-20)15-7-9/h2-7,20H,8H2,1H3,(H,16,17,18,19)
InChIKeyFJGHYXXFCDFXAY-UHFFFAOYSA-N
XLogP0.82
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-(Hydroxymethyl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-4-sulfonamide
CID 118256917
5-(4-(Hydroxymethyl)phenyl)-4-(1H-tetrazol-5-yl)pyridine-3-sulfonamide
CID 118257448
US10227331, Example 111
CID 135150028
3-[2-(hydroxymethyl)-4-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266121
6-(hydroxymethyl)-3''-(1H-tetrazol-5-yl)-[3,4''-bipyridine]-2''-sulfonamide
CID 118265340
3-[2-(hydroxymethyl)pyridin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823517
3-(6-(Hydroxymethyl)pyridin-3-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 134823584
US10227331, Example 143
CID 135150291
US10227331, Example 145
CID 135150294
5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pyridine
CID 122694067
3-[6-(1-ethoxy-2,2,2-trifluoro-1-methoxyethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 123307783
2-[4-[6-(hydroxymethyl)pyridin-3-yl]-2-sulfamoyl-3-(2H-tetrazol-5-yl)phenyl]sulfonylethylazanium;2,2,2-trifluoroacetate
CID 135150293

Frequently Asked Questions

What is the IUPAC name of [5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol?
The IUPAC name of [5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol (CID 122694256) is [5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol?
The canonical SMILES for [5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol is CS(=O)(=O)c1cccc(-c2ccc(CO)nc2)c1-c1nn[nH]n1.
What is the InChIKey of [5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol?
The InChIKey is FJGHYXXFCDFXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-23(21,22)12-4-2-3-11(13(12)14-16-18-19-17-14)9-5-6-10(8-20)15-7-9/h2-7,20H,8H2,1H3,(H,16,17,18,19).
What are the key properties of [5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol?
[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol has a molecular weight of 331.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol is sourced from PubChem (CID 122694256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).