4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide

C17H25NO2SSi — CID 10497049

IUPAC4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide
SMILESC=C(C)CN(CC#C[Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2SSi/c1-15(2)14-18(12-7-13-22(4,5)6)21(19,20)17-10-8-16(3)9-11-17/h8-11H,1,12,14H2,2-6H3
InChIKeySMPSGHVYTAGSCW-UHFFFAOYSA-N
MW335.55 g/mol
LogP3.44
Rot. Bonds5

About 4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide

4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide (PubChem CID 10497049) has the molecular formula C17H25NO2SSi and a molecular weight of 335.55 g/mol. Its IUPAC name is 4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide
PubChem CID10497049
Molecular FormulaC17H25NO2SSi
Molecular Weight335.55 g/mol
Exact Mass335.14
IUPAC Name4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide
SMILESC=C(C)CN(CC#C[Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2SSi/c1-15(2)14-18(12-7-13-22(4,5)6)21(19,20)17-10-8-16(3)9-11-17/h8-11H,1,12,14H2,2-6H3
InChIKeySMPSGHVYTAGSCW-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.55
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide (CID 10497049) is 4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide is C=C(C)CN(CC#C[Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide?
The InChIKey is SMPSGHVYTAGSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2SSi/c1-15(2)14-18(12-7-13-22(4,5)6)21(19,20)17-10-8-16(3)9-11-17/h8-11H,1,12,14H2,2-6H3.
What are the key properties of 4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide?
4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide has a molecular weight of 335.55 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide is sourced from PubChem (CID 10497049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).