4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide

C15H17N3O3S — CID 50886734

IUPAC4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
SMILESCCOc1ccc(C=NNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-2-21-14-7-3-12(4-8-14)11-17-18-13-5-9-15(10-6-13)22(16,19)20/h3-11,18H,2H2,1H3,(H2,16,19,20)
InChIKeyVXSDNCDYVMBSSJ-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.18
Rot. Bonds6

About 4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide

4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide (PubChem CID 50886734) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
PubChem CID50886734
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
SMILESCCOc1ccc(C=NNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-2-21-14-7-3-12(4-8-14)11-17-18-13-5-9-15(10-6-13)22(16,19)20/h3-11,18H,2H2,1H3,(H2,16,19,20)
InChIKeyVXSDNCDYVMBSSJ-UHFFFAOYSA-N
XLogP2.18
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
2-[2-methoxy-5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 4840746
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate
CID 135458846
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
4-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]benzenesulfonamide
CID 25353158

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide (CID 50886734) is 4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide is CCOc1ccc(C=NNc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is VXSDNCDYVMBSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-2-21-14-7-3-12(4-8-14)11-17-18-13-5-9-15(10-6-13)22(16,19)20/h3-11,18H,2H2,1H3,(H2,16,19,20).
What are the key properties of 4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide?
4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 319.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 50886734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).