N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide

C9H13N3O6SSi — CID 89455528

IUPACN-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(OCCC[Si](O)(O)O)cc1
InChIInChI=1S/C9H13N3O6SSi/c10-11-12-19(13,14)9-4-2-8(3-5-9)18-6-1-7-20(15,16)17/h2-5,15-17H,1,6-7H2
InChIKeyBTDKJZGYWGORMY-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.37
Rot. Bonds7

About N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide

N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide (PubChem CID 89455528) has the molecular formula C9H13N3O6SSi and a molecular weight of 319.37 g/mol. Its IUPAC name is N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide
PubChem CID89455528
Molecular FormulaC9H13N3O6SSi
Molecular Weight319.37 g/mol
Exact Mass319.03
IUPAC NameN-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(OCCC[Si](O)(O)O)cc1
InChIInChI=1S/C9H13N3O6SSi/c10-11-12-19(13,14)9-4-2-8(3-5-9)18-6-1-7-20(15,16)17/h2-5,15-17H,1,6-7H2
InChIKeyBTDKJZGYWGORMY-UHFFFAOYSA-N
XLogP0.37
TPSA152.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-diazo-4-(4-ethylphenoxy)benzenesulfonamide
CID 91323840
N-diazo-4-methylsulfonylbenzenesulfonamide
CID 43286601
N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide
CID 122550578
hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane
CID 123925511
1-[diazo-(4-dodecoxyphenyl)sulfonylmethyl]sulfonyl-4-dodecoxybenzene
CID 23437450
1-[diazo-(4-nonoxyphenyl)sulfonylmethyl]sulfonyl-4-nonoxybenzene
CID 23437471
N-(4-azidosulfonylphenyl)-2-oxoacetamide
CID 122550572
disodium;4-[10-(4-sulfonatophenoxy)decoxy]benzenesulfonate
CID 160574785
tert-butyl 2-[4-(3-azidopropoxy)phenyl]sulfonyloxyacetate
CID 155294567
4-(11-hydroxyundecoxy)benzenesulfonic acid
CID 71377901
1-diazo-1-(4-hexoxyphenyl)sulfonyl-3,3-dimethylbutan-2-one
CID 74053017
1-diazo-1-(4-hexoxyphenyl)sulfonylpropan-2-one
CID 74053021

Frequently Asked Questions

What is the IUPAC name of N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide?
The IUPAC name of N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide (CID 89455528) is N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide?
The canonical SMILES for N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide is [N-]=[N+]=NS(=O)(=O)c1ccc(OCCC[Si](O)(O)O)cc1.
What is the InChIKey of N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide?
The InChIKey is BTDKJZGYWGORMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O6SSi/c10-11-12-19(13,14)9-4-2-8(3-5-9)18-6-1-7-20(15,16)17/h2-5,15-17H,1,6-7H2.
What are the key properties of N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide?
N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide has a molecular weight of 319.37 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide is sourced from PubChem (CID 89455528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).