3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide

C14H12N6O3S — CID 122694189

IUPAC3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
SMILESCS(=O)(=O)c1nccc(-c2cccc(C(N)=O)c2)c1-c1nn[nH]n1
InChIInChI=1S/C14H12N6O3S/c1-24(22,23)14-11(13-17-19-20-18-13)10(5-6-16-14)8-3-2-4-9(7-8)12(15)21/h2-7H,1H3,(H2,15,21)(H,17,18,19,20)
InChIKeyUIYGLWLQFJXVNC-UHFFFAOYSA-N
MW344.36 g/mol
LogP0.43
Rot. Bonds4

About 3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide

3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide (PubChem CID 122694189) has the molecular formula C14H12N6O3S and a molecular weight of 344.36 g/mol. Its IUPAC name is 3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
PubChem CID122694189
Molecular FormulaC14H12N6O3S
Molecular Weight344.36 g/mol
Exact Mass344.07
IUPAC Name3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
SMILESCS(=O)(=O)c1nccc(-c2cccc(C(N)=O)c2)c1-c1nn[nH]n1
InChIInChI=1S/C14H12N6O3S/c1-24(22,23)14-11(13-17-19-20-18-13)10(5-6-16-14)8-3-2-4-9(7-8)12(15)21/h2-7H,1H3,(H2,15,21)(H,17,18,19,20)
InChIKeyUIYGLWLQFJXVNC-UHFFFAOYSA-N
XLogP0.43
TPSA144.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118256777
N-Cyclopropyl-4-(2-sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118257239
4-(1-oxoisoindolin-5-yl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265338
3-(2-sulfamoyl-3-(2H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 134823561
5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 122694363
3-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 118266593
methyl 4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoate
CID 122694144
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694146
5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2,3-dihydroisoindol-1-one
CID 122694151
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzoic acid
CID 122694156
N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694157
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide
CID 122694176

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The IUPAC name of 3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide (CID 122694189) is 3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide.
What is the SMILES notation for 3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The canonical SMILES for 3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide is CS(=O)(=O)c1nccc(-c2cccc(C(N)=O)c2)c1-c1nn[nH]n1.
What is the InChIKey of 3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The InChIKey is UIYGLWLQFJXVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O3S/c1-24(22,23)14-11(13-17-19-20-18-13)10(5-6-16-14)8-3-2-4-9(7-8)12(15)21/h2-7H,1H3,(H2,15,21)(H,17,18,19,20).
What are the key properties of 3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide has a molecular weight of 344.36 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide is sourced from PubChem (CID 122694189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).