4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide

C13H13N3O3S — CID 135930321

IUPAC4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C13H13N3O3S/c1-14-20(18,19)13-8-4-11(5-9-13)16-15-10-2-6-12(17)7-3-10/h2-9,14,17H,1H3/b16-15+
InChIKeyPCHMJOHUYPRWEV-FOCLMDBBSA-N
MW291.33 g/mol
LogP2.72
Rot. Bonds4

About 4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide

4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide (PubChem CID 135930321) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide
PubChem CID135930321
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C13H13N3O3S/c1-14-20(18,19)13-8-4-11(5-9-13)16-15-10-2-6-12(17)7-3-10/h2-9,14,17H,1H3/b16-15+
InChIKeyPCHMJOHUYPRWEV-FOCLMDBBSA-N
XLogP2.72
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
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-methylbenzenesulfonamide?
The IUPAC name of 4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide (CID 135930321) is 4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide?
The InChIKey is PCHMJOHUYPRWEV-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-14-20(18,19)13-8-4-11(5-9-13)16-15-10-2-6-12(17)7-3-10/h2-9,14,17H,1H3/b16-15+.
What are the key properties of 4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide?
4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide has a molecular weight of 291.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)diazenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 135930321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).