trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane

C18H23N5O2SSi — CID 140751875

IUPACtrimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane
SMILESCc1ccc(-c2ccnc(S(=O)(=O)CC[Si](C)(C)C)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H23N5O2SSi/c1-13-5-7-14(8-6-13)15-9-10-19-18(16(15)17-20-22-23-21-17)26(24,25)11-12-27(2,3)4/h5-10H,11-12H2,1-4H3,(H,20,21,22,23)
InChIKeyIAJMNQKHTIITIX-UHFFFAOYSA-N
MW401.57 g/mol
LogP3.35
Rot. Bonds6

About trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane

trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane (PubChem CID 140751875) has the molecular formula C18H23N5O2SSi and a molecular weight of 401.57 g/mol. Its IUPAC name is trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane
PubChem CID140751875
Molecular FormulaC18H23N5O2SSi
Molecular Weight401.57 g/mol
Exact Mass401.13
IUPAC Nametrimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane
SMILESCc1ccc(-c2ccnc(S(=O)(=O)CC[Si](C)(C)C)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H23N5O2SSi/c1-13-5-7-14(8-6-13)15-9-10-19-18(16(15)17-20-22-23-21-17)26(24,25)11-12-27(2,3)4/h5-10H,11-12H2,1-4H3,(H,20,21,22,23)
InChIKeyIAJMNQKHTIITIX-UHFFFAOYSA-N
XLogP3.35
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 118265917
CID 118265917
3-(1H-Tetrazol-5-yl)-4-(p-tolyl)pyridine-2-sulfonamide
CID 118256913
4-methyl-3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine
CID 130230710
2-cyclobutylsulfanyl-3-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]pyridine
CID 121447298
5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-3-(trifluoromethyl)-1H-isoindole
CID 158302299
4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265337
4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265341
4-(2-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265913
3-(6-methylsulfonyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266177
3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 122694064
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694146
N-[4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methanesulfonamide
CID 122694158

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane (CID 140751875) is trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane is Cc1ccc(-c2ccnc(S(=O)(=O)CC[Si](C)(C)C)c2-c2nn[nH]n2)cc1.
What is the InChIKey of trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane?
The InChIKey is IAJMNQKHTIITIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2SSi/c1-13-5-7-14(8-6-13)15-9-10-19-18(16(15)17-20-22-23-21-17)26(24,25)11-12-27(2,3)4/h5-10H,11-12H2,1-4H3,(H,20,21,22,23).
What are the key properties of trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane?
trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane has a molecular weight of 401.57 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-2-pyridinyl]sulfonyl]ethyl]silane is sourced from PubChem (CID 140751875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).