4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide

C16H19N3O3S — CID 3089332

IUPAC4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide
SMILESCCCCOc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-2-3-12-22-15-8-4-13(5-9-15)18-19-14-6-10-16(11-7-14)23(17,20)21/h4-11H,2-3,12H2,1H3,(H2,17,20,21)/b19-18+
InChIKeyOAZYFGIRMOCOHZ-VHEBQXMUSA-N
MW333.41 g/mol
LogP3.93
Rot. Bonds7

About 4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide

4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide (PubChem CID 3089332) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide
PubChem CID3089332
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide
SMILESCCCCOc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-2-3-12-22-15-8-4-13(5-9-15)18-19-14-6-10-16(11-7-14)23(17,20)21/h4-11H,2-3,12H2,1H3,(H2,17,20,21)/b19-18+
InChIKeyOAZYFGIRMOCOHZ-VHEBQXMUSA-N
XLogP3.93
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.93
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'}

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Related Compounds

(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
4-(4-propoxyphenoxy)benzenesulfonamide
CID 43342703
4-[(4-butoxyphenyl)diazenyl]aniline
CID 3684446
bis(4-heptoxyphenyl)diazene
CID 13087198
(4-octadecoxyphenyl)-(4-pyridin-1-ium-1-ylsulfonylphenyl)diazene
CID 102007313
4-[[4-(octadecylamino)phenyl]diazenyl]benzenesulfonamide
CID 71335414
3-[4-[(4-butoxyphenyl)diazenyl]phenoxy]propanoic acid
CID 177145662
4-[4-[(4-butoxyphenyl)diazenyl]benzoyl]oxybutyl 4-[(4-butoxyphenyl)diazenyl]benzoate
CID 102178848
(4-butoxyphenyl)-(4-ethynylphenyl)diazene
CID 101121251
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide (CID 3089332) is 4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide is CCCCOc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide?
The InChIKey is OAZYFGIRMOCOHZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-2-3-12-22-15-8-4-13(5-9-15)18-19-14-6-10-16(11-7-14)23(17,20)21/h4-11H,2-3,12H2,1H3,(H2,17,20,21)/b19-18+.
What are the key properties of 4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide?
4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 3089332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).