2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid

C15H17N3O3S — CID 163698538

IUPAC2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid
SMILESCN(C)c1ccc(NN=Cc2ccccc2S(=O)(=O)O)cc1
InChIInChI=1S/C15H17N3O3S/c1-18(2)14-9-7-13(8-10-14)17-16-11-12-5-3-4-6-15(12)22(19,20)21/h3-11,17H,1-2H3,(H,19,20,21)
InChIKeyJYYVJNJCZYXLQC-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.45
Rot. Bonds5

About 2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid

2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid (PubChem CID 163698538) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid.

Molecular Properties

Compound Name2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid
PubChem CID163698538
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid
SMILESCN(C)c1ccc(NN=Cc2ccccc2S(=O)(=O)O)cc1
InChIInChI=1S/C15H17N3O3S/c1-18(2)14-9-7-13(8-10-14)17-16-11-12-5-3-4-6-15(12)22(19,20)21/h3-11,17H,1-2H3,(H,19,20,21)
InChIKeyJYYVJNJCZYXLQC-UHFFFAOYSA-N
XLogP2.45
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2E)-2-[(2-sulfophenyl)methylidene]hydrazinyl]benzoic acid
CID 88896863
2-[(Z)-(acetylhydrazinylidene)methyl]benzenesulfonic acid
CID 6113992
sodium 2-[(E)-[[(Z)-(2-sulfophenyl)methylideneamino]carbamoylhydrazinylidene]methyl]benzenesulfonic acid
CID 54605533
4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 5356621
2-[[4-(dimethylamino)phenyl]diazenyl]-6-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid
CID 87280472
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4850995
4-[4-(dimethylamino)anilino]benzenesulfonic acid
CID 22146835
4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 7955579
2-[(Z)-[[(2R)-2-acetamido-3-hydroxypropanoyl]hydrazinylidene]methyl]benzenesulfonic acid
CID 102349331
2-[[[5-[3-[methyl-[4-(pyridine-3-carbonylamino)butyl]amino]propylcarbamoyl]-2-pyridinyl]hydrazinylidene]methyl]benzenesulfonic acid
CID 59643813
2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid
CID 169381664
3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate
CID 7065216

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid?
The IUPAC name of 2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid (CID 163698538) is 2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid.
What is the SMILES notation for 2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid?
The canonical SMILES for 2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid is CN(C)c1ccc(NN=Cc2ccccc2S(=O)(=O)O)cc1.
What is the InChIKey of 2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid?
The InChIKey is JYYVJNJCZYXLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-18(2)14-9-7-13(8-10-14)17-16-11-12-5-3-4-6-15(12)22(19,20)21/h3-11,17H,1-2H3,(H,19,20,21).
What are the key properties of 2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid?
2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid has a molecular weight of 319.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(dimethylamino)phenyl]hydrazinylidene]methyl]benzenesulfonic acid is sourced from PubChem (CID 163698538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).