N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide

C11H17N3O5SSi — CID 18667836

IUPACN-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide
SMILESCCc1c([Si](OC)(OC)OC)cccc1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C11H17N3O5SSi/c1-5-9-10(20(15,16)14-13-12)7-6-8-11(9)21(17-2,18-3)19-4/h6-8H,5H2,1-4H3
InChIKeyNEHAVCWUGFSWNU-UHFFFAOYSA-N
MW331.43 g/mol
LogP1.33
Rot. Bonds7

About N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide

N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide (PubChem CID 18667836) has the molecular formula C11H17N3O5SSi and a molecular weight of 331.43 g/mol. Its IUPAC name is N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide.

Molecular Properties

Compound NameN-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide
PubChem CID18667836
Molecular FormulaC11H17N3O5SSi
Molecular Weight331.43 g/mol
Exact Mass331.07
IUPAC NameN-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide
SMILESCCc1c([Si](OC)(OC)OC)cccc1S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C11H17N3O5SSi/c1-5-9-10(20(15,16)14-13-12)7-6-8-11(9)21(17-2,18-3)19-4/h6-8H,5H2,1-4H3
InChIKeyNEHAVCWUGFSWNU-UHFFFAOYSA-N
XLogP1.33
TPSA110.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide?
The IUPAC name of N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide (CID 18667836) is N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide.
What is the SMILES notation for N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide?
The canonical SMILES for N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide is CCc1c([Si](OC)(OC)OC)cccc1S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide?
The InChIKey is NEHAVCWUGFSWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5SSi/c1-5-9-10(20(15,16)14-13-12)7-6-8-11(9)21(17-2,18-3)19-4/h6-8H,5H2,1-4H3.
What are the key properties of N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide?
N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide has a molecular weight of 331.43 g/mol, XLogP of 1.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-2-ethyl-3-trimethoxysilylbenzenesulfonamide is sourced from PubChem (CID 18667836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).