4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide

C13H14N4O2S — CID 175543778

IUPAC4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide
SMILESCc1cc(N)ccc1/N=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H14N4O2S/c1-9-8-10(14)2-7-13(9)17-16-11-3-5-12(6-4-11)20(15,18)19/h2-8H,14H2,1H3,(H2,15,18,19)/b17-16+
InChIKeyPFDXUBLXGRIDOS-WUKNDPDISA-N
MW290.35 g/mol
LogP2.64
Rot. Bonds3

About 4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide

4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide (PubChem CID 175543778) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide
PubChem CID175543778
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide
SMILESCc1cc(N)ccc1/N=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H14N4O2S/c1-9-8-10(14)2-7-13(9)17-16-11-3-5-12(6-4-11)20(15,18)19/h2-8H,14H2,1H3,(H2,15,18,19)/b17-16+
InChIKeyPFDXUBLXGRIDOS-WUKNDPDISA-N
XLogP2.64
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline
CID 21443876
sodium 4-[(4-amino-2-methylphenyl)diazenyl]-3-methylbenzenesulfonic acid
CID 54609884
4-[(2,4-diaminophenyl)diazenyl]-3-methylbenzenesulfonic acid
CID 20764501
4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide
CID 2725202
CID 170841045
CID 170841045
sodium 4-[[5-[(2,4-dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]benzenesulfonate
CID 135570494
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
CID 135434982
4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid
CID 165363256
3-methyl-4-[[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]diazenyl]aniline
CID 88875036
4-[(4-aminophenyl)diazenyl]-3-methoxybenzenesulfonic acid
CID 88756347
2-amino-5-[(4-amino-2-methylphenyl)diazenyl]benzene-1,4-disulfonic acid
CID 154220394

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide (CID 175543778) is 4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide is Cc1cc(N)ccc1/N=N/c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide?
The InChIKey is PFDXUBLXGRIDOS-WUKNDPDISA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-9-8-10(14)2-7-13(9)17-16-11-3-5-12(6-4-11)20(15,18)19/h2-8H,14H2,1H3,(H2,15,18,19)/b17-16+.
What are the key properties of 4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide?
4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 175543778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).