4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide

C23H28N4O5SSi — CID 90444287

IUPAC4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide
SMILESCO[Si](OC)(OC)c1ccc(NS(=O)(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C23H28N4O5SSi/c1-27(2)21-12-6-18(7-13-21)24-25-19-8-14-22(15-9-19)33(28,29)26-20-10-16-23(17-11-20)34(30-3,31-4)32-5/h6-17,26H,1-5H3/b25-24+
InChIKeyCEMGUNNHSBXKFV-OCOZRVBESA-N
MW500.65 g/mol
LogP4.05
Rot. Bonds10

About 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide

4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide (PubChem CID 90444287) has the molecular formula C23H28N4O5SSi and a molecular weight of 500.65 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide
PubChem CID90444287
Molecular FormulaC23H28N4O5SSi
Molecular Weight500.65 g/mol
Exact Mass500.15
IUPAC Name4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide
SMILESCO[Si](OC)(OC)c1ccc(NS(=O)(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1
InChIInChI=1S/C23H28N4O5SSi/c1-27(2)21-12-6-18(7-13-21)24-25-19-8-14-22(15-9-19)33(28,29)26-20-10-16-23(17-11-20)34(30-3,31-4)32-5/h6-17,26H,1-5H3/b25-24+
InChIKeyCEMGUNNHSBXKFV-OCOZRVBESA-N
XLogP4.05
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide (CID 90444287) is 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide is CO[Si](OC)(OC)c1ccc(NS(=O)(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide?
The InChIKey is CEMGUNNHSBXKFV-OCOZRVBESA-N. The full InChI is InChI=1S/C23H28N4O5SSi/c1-27(2)21-12-6-18(7-13-21)24-25-19-8-14-22(15-9-19)33(28,29)26-20-10-16-23(17-11-20)34(30-3,31-4)32-5/h6-17,26H,1-5H3/b25-24+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide?
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide has a molecular weight of 500.65 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide is sourced from PubChem (CID 90444287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).