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

C18H22N6O3SSi — CID 140751892

IUPAC4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide
SMILESC[Si](C)(C)CCS(=O)(=O)c1nccc(-c2ccc(C(N)=O)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C18H22N6O3SSi/c1-29(2,3)11-10-28(26,27)18-15(17-21-23-24-22-17)14(8-9-20-18)12-4-6-13(7-5-12)16(19)25/h4-9H,10-11H2,1-3H3,(H2,19,25)(H,21,22,23,24)
InChIKeyGTMANUUVLVQBHE-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.14
Rot. Bonds7

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

4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide (PubChem CID 140751892) has the molecular formula C18H22N6O3SSi and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide
PubChem CID140751892
Molecular FormulaC18H22N6O3SSi
Molecular Weight430.57 g/mol
Exact Mass430.12
IUPAC Name4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide
SMILESC[Si](C)(C)CCS(=O)(=O)c1nccc(-c2ccc(C(N)=O)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C18H22N6O3SSi/c1-29(2,3)11-10-28(26,27)18-15(17-21-23-24-22-17)14(8-9-20-18)12-4-6-13(7-5-12)16(19)25/h4-9H,10-11H2,1-3H3,(H2,19,25)(H,21,22,23,24)
InChIKeyGTMANUUVLVQBHE-UHFFFAOYSA-N
XLogP2.14
TPSA144.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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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
3-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 118266593
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
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
3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694189
4-(4-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine
CID 122694231
(3S)-3-[(1S)-2-(6-cyclopropylsulfonyl-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]hexan-2-one
CID 129264691
trimethyl-[2-[[4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane
CID 140751872
methyl 4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfanyl)-4-pyridinyl]benzoate
CID 140751873

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide?
The IUPAC name of 4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide (CID 140751892) is 4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide.
What is the SMILES notation for 4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide?
The canonical SMILES for 4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide is C[Si](C)(C)CCS(=O)(=O)c1nccc(-c2ccc(C(N)=O)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide?
The InChIKey is GTMANUUVLVQBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3SSi/c1-29(2,3)11-10-28(26,27)18-15(17-21-23-24-22-17)14(8-9-20-18)12-4-6-13(7-5-12)16(19)25/h4-9H,10-11H2,1-3H3,(H2,19,25)(H,21,22,23,24).
What are the key properties of 4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide?
4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2H-tetrazol-5-yl)-2-(2-trimethylsilylethylsulfonyl)-4-pyridinyl]benzamide is sourced from PubChem (CID 140751892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).