2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine

C18H19N5O3S — CID 122694159

IUPAC2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine
SMILESCS(=O)(=O)c1nccc(-c2ccc(C3CCOCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C18H19N5O3S/c1-27(24,25)18-16(17-20-22-23-21-17)15(6-9-19-18)14-4-2-12(3-5-14)13-7-10-26-11-8-13/h2-6,9,13H,7-8,10-11H2,1H3,(H,20,21,22,23)
InChIKeyWDGVFIZRAUKJDS-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.23
Rot. Bonds4

About 2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine

2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine (PubChem CID 122694159) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine
PubChem CID122694159
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine
SMILESCS(=O)(=O)c1nccc(-c2ccc(C3CCOCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C18H19N5O3S/c1-27(24,25)18-16(17-20-22-23-21-17)15(6-9-19-18)14-4-2-12(3-5-14)13-7-10-26-11-8-13/h2-6,9,13H,7-8,10-11H2,1H3,(H,20,21,22,23)
InChIKeyWDGVFIZRAUKJDS-UHFFFAOYSA-N
XLogP2.23
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1H-Tetrazol-5-yl)-4-(p-tolyl)pyridine-2-sulfonamide
CID 118256913
4-(4-(Tetrahydro-2H-pyran-4-yl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257383
5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole
CID 158302299
4-ethoxy-5-(pyridin-2-ylmethyl)-5-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexa-1,3-diene-1-sulfonamide
CID 68641758
4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265341
[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanol
CID 122694154
N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide
CID 122694158
4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine
CID 122694161
2-methylsulfonyl-4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine
CID 122694162
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide
CID 122694176
2-methylsulfonyl-4-pyridin-3-yl-3-(2H-tetrazol-5-yl)pyridine
CID 122694178
N-benzyl-N-methyl-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridin-4-amine
CID 122694179

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine (CID 122694159) is 2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine is CS(=O)(=O)c1nccc(-c2ccc(C3CCOCC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine?
The InChIKey is WDGVFIZRAUKJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-27(24,25)18-16(17-20-22-23-21-17)15(6-9-19-18)14-4-2-12(3-5-14)13-7-10-26-11-8-13/h2-6,9,13H,7-8,10-11H2,1H3,(H,20,21,22,23).
What are the key properties of 2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine?
2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine has a molecular weight of 385.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 122694159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).