3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid

C18H17N3O3S — CID 2255243

IUPAC3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1cccc(NNc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C18H17N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19-21H,(H,22,23,24)
InChIKeyQGEDDOSZYQFMIT-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.12
Rot. Bonds6

About 3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid

3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid (PubChem CID 2255243) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid.

Molecular Properties

Compound Name3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid
PubChem CID2255243
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1cccc(NNc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C18H17N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19-21H,(H,22,23,24)
InChIKeyQGEDDOSZYQFMIT-UHFFFAOYSA-N
XLogP4.12
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid?
The IUPAC name of 3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid (CID 2255243) is 3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid.
What is the SMILES notation for 3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid?
The canonical SMILES for 3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid is O=S(=O)(O)c1cccc(NNc2ccc(Nc3ccccc3)cc2)c1.
What is the InChIKey of 3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid?
The InChIKey is QGEDDOSZYQFMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19-21H,(H,22,23,24).
What are the key properties of 3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid?
3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid has a molecular weight of 355.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-anilinophenyl)hydrazinyl]benzenesulfonic acid is sourced from PubChem (CID 2255243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).