4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide

C14H23NO5SSi — CID 68854810

IUPAC4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide
SMILESC=CCC(NS(=O)(=O)c1ccc(C)cc1)[Si](OC)(OC)OC
InChIInChI=1S/C14H23NO5SSi/c1-6-7-14(22(18-3,19-4)20-5)15-21(16,17)13-10-8-12(2)9-11-13/h6,8-11,14-15H,1,7H2,2-5H3
InChIKeyUQXZXLQPFXFYEY-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.64
Rot. Bonds9

About 4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide

4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide (PubChem CID 68854810) has the molecular formula C14H23NO5SSi and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide
PubChem CID68854810
Molecular FormulaC14H23NO5SSi
Molecular Weight345.49 g/mol
Exact Mass345.11
IUPAC Name4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide
SMILESC=CCC(NS(=O)(=O)c1ccc(C)cc1)[Si](OC)(OC)OC
InChIInChI=1S/C14H23NO5SSi/c1-6-7-14(22(18-3,19-4)20-5)15-21(16,17)13-10-8-12(2)9-11-13/h6,8-11,14-15H,1,7H2,2-5H3
InChIKeyUQXZXLQPFXFYEY-UHFFFAOYSA-N
XLogP1.64
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-trimethoxysilylpropyl)benzenesulfonamide
CID 71086779
4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide
CID 25016898
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151
4-methyl-N-[1-(3-methylphenyl)but-3-enyl]benzenesulfonamide
CID 139241352
N-dec-1-en-4-yl-4-methylbenzenesulfonamide
CID 11174340
methyl 2-[(4-phenylphenyl)sulfonylamino]pent-4-enoate
CID 23508264
N-[(1S,2R)-2-(hydroxymethyl)-1-phenylpent-4-enyl]-4-methylbenzenesulfonamide
CID 139048254
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide
CID 10715848
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
dimethyl 2-[(4-methylphenyl)sulfonylamino]propanedioate
CID 11141140

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide (CID 68854810) is 4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide is C=CCC(NS(=O)(=O)c1ccc(C)cc1)[Si](OC)(OC)OC.
What is the InChIKey of 4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide?
The InChIKey is UQXZXLQPFXFYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5SSi/c1-6-7-14(22(18-3,19-4)20-5)15-21(16,17)13-10-8-12(2)9-11-13/h6,8-11,14-15H,1,7H2,2-5H3.
What are the key properties of 4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide?
4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide has a molecular weight of 345.49 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide is sourced from PubChem (CID 68854810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).