4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide

C14H16N4O2S — CID 18282586

IUPAC4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESC/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cccc(N)c1
InChIInChI=1S/C14H16N4O2S/c1-10(11-3-2-4-12(15)9-11)17-18-13-5-7-14(8-6-13)21(16,19)20/h2-9,18H,15H2,1H3,(H2,16,19,20)/b17-10+
InChIKeyPVZNYAJNRPOARG-LICLKQGHSA-N
MW304.38 g/mol
LogP1.75
Rot. Bonds4

About 4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide

4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide (PubChem CID 18282586) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide
PubChem CID18282586
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESC/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cccc(N)c1
InChIInChI=1S/C14H16N4O2S/c1-10(11-3-2-4-12(15)9-11)17-18-13-5-7-14(8-6-13)21(16,19)20/h2-9,18H,15H2,1H3,(H2,16,19,20)/b17-10+
InChIKeyPVZNYAJNRPOARG-LICLKQGHSA-N
XLogP1.75
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide (CID 18282586) is 4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide is C/C(=N\Nc1ccc(S(N)(=O)=O)cc1)c1cccc(N)c1.
What is the InChIKey of 4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is PVZNYAJNRPOARG-LICLKQGHSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-10(11-3-2-4-12(15)9-11)17-18-13-5-7-14(8-6-13)21(16,19)20/h2-9,18H,15H2,1H3,(H2,16,19,20)/b17-10+.
What are the key properties of 4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 304.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 18282586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).