4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide

C14H15N3O3S — CID 135930320

IUPAC4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-17(2)21(19,20)14-9-5-12(6-10-14)16-15-11-3-7-13(18)8-4-11/h3-10,18H,1-2H3/b16-15+
InChIKeyZFBCODIFIUGQEW-FOCLMDBBSA-N
MW305.36 g/mol
LogP3.06
Rot. Bonds4

About 4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide

4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 135930320) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide
PubChem CID135930320
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-17(2)21(19,20)14-9-5-12(6-10-14)16-15-11-3-7-13(18)8-4-11/h3-10,18H,1-2H3/b16-15+
InChIKeyZFBCODIFIUGQEW-FOCLMDBBSA-N
XLogP3.06
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide (CID 135930320) is 4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZFBCODIFIUGQEW-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-17(2)21(19,20)14-9-5-12(6-10-14)16-15-11-3-7-13(18)8-4-11/h3-10,18H,1-2H3/b16-15+.
What are the key properties of 4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide?
4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)diazenyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 135930320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).