4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide

C17H25NO2SSi — CID 11151826

IUPAC4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide
SMILESC#CCN(CC(=C)C[Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2SSi/c1-7-12-18(13-16(3)14-22(4,5)6)21(19,20)17-10-8-15(2)9-11-17/h1,8-11H,3,12-14H2,2,4-6H3
InChIKeyMXLPNGHKYBUAHX-UHFFFAOYSA-N
MW335.55 g/mol
LogP3.51
Rot. Bonds7

About 4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide

4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide (PubChem CID 11151826) has the molecular formula C17H25NO2SSi and a molecular weight of 335.55 g/mol. Its IUPAC name is 4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide
PubChem CID11151826
Molecular FormulaC17H25NO2SSi
Molecular Weight335.55 g/mol
Exact Mass335.14
IUPAC Name4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide
SMILESC#CCN(CC(=C)C[Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2SSi/c1-7-12-18(13-16(3)14-22(4,5)6)21(19,20)17-10-8-15(2)9-11-17/h1,8-11H,3,12-14H2,2,4-6H3
InChIKeyMXLPNGHKYBUAHX-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.55
LogP ≤ 53.51
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-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide (CID 11151826) is 4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide is C#CCN(CC(=C)C[Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide?
The InChIKey is MXLPNGHKYBUAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2SSi/c1-7-12-18(13-16(3)14-22(4,5)6)21(19,20)17-10-8-15(2)9-11-17/h1,8-11H,3,12-14H2,2,4-6H3.
What are the key properties of 4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide?
4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide has a molecular weight of 335.55 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 11151826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).