N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide

C18H30N4O3S — CID 3112790

IUPACN-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide
SMILESCCCCCCCCCC(=O)NS(=O)(=O)c1ccc(/N=N/N(C)C)cc1
InChIInChI=1S/C18H30N4O3S/c1-4-5-6-7-8-9-10-11-18(23)20-26(24,25)17-14-12-16(13-15-17)19-21-22(2)3/h12-15H,4-11H2,1-3H3,(H,20,23)/b21-19+
InChIKeyZAURZSFWBHNHMR-XUTLUUPISA-N
MW382.53 g/mol
LogP4.19
Rot. Bonds12

About N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide

N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide (PubChem CID 3112790) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide.

Molecular Properties

Compound NameN-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide
PubChem CID3112790
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC NameN-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide
SMILESCCCCCCCCCC(=O)NS(=O)(=O)c1ccc(/N=N/N(C)C)cc1
InChIInChI=1S/C18H30N4O3S/c1-4-5-6-7-8-9-10-11-18(23)20-26(24,25)17-14-12-16(13-15-17)19-21-22(2)3/h12-15H,4-11H2,1-3H3,(H,20,23)/b21-19+
InChIKeyZAURZSFWBHNHMR-XUTLUUPISA-N
XLogP4.19
TPSA91.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 13094109
N-(4-aminophenyl)sulfonyloctadecanamide;titanium
CID 87794526
N-(4-aminophenyl)sulfonyloctadecanamide;sulfane;sulfuric acid
CID 70524364
N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide
CID 102513773
N-(4-nitrophenyl)sulfonylpentanamide
CID 162405454
potassium (1E)-N-[4-(dimethylaminodiazenyl)phenyl]sulfonylbutanimidate
CID 56642968
N-[4-(2-amino-2-oxoethyl)-3-methylphenyl]sulfonylnonanamide
CID 142683766
potassium N-[4-(dimethylaminodiazenyl)phenyl]sulfonyladamantane-1-carboxamide
CID 126468671
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]heptanamide
CID 54789393
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide
CID 75403977
6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide
CID 110839422
N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide
CID 67788788

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide?
The IUPAC name of N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide (CID 3112790) is N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide.
What is the SMILES notation for N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide?
The canonical SMILES for N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide is CCCCCCCCCC(=O)NS(=O)(=O)c1ccc(/N=N/N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide?
The InChIKey is ZAURZSFWBHNHMR-XUTLUUPISA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-4-5-6-7-8-9-10-11-18(23)20-26(24,25)17-14-12-16(13-15-17)19-21-22(2)3/h12-15H,4-11H2,1-3H3,(H,20,23)/b21-19+.
What are the key properties of N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide?
N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide has a molecular weight of 382.53 g/mol, XLogP of 4.19, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylaminodiazenyl)phenyl]sulfonyldecanamide is sourced from PubChem (CID 3112790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).