4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide

C15H17N3O3S — CID 2811811

IUPAC4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide
SMILESCCc1ccc(C(=O)NNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-2-11-3-5-12(6-4-11)15(19)18-17-13-7-9-14(10-8-13)22(16,20)21/h3-10,17H,2H2,1H3,(H,18,19)(H2,16,20,21)
InChIKeyDNETXORZKQNHRO-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.65
Rot. Bonds5

About 4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide

4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide (PubChem CID 2811811) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide
PubChem CID2811811
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide
SMILESCCc1ccc(C(=O)NNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-2-11-3-5-12(6-4-11)15(19)18-17-13-7-9-14(10-8-13)22(16,20)21/h3-10,17H,2H2,1H3,(H,18,19)(H2,16,20,21)
InChIKeyDNETXORZKQNHRO-UHFFFAOYSA-N
XLogP1.65
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sulfabenzamide
CID 5319
N-Sulfanilyl-3,4-xylamide
CID 67118
4-[2-(2,4-Difluorobenzoyl)hydrazino]benzenesulfonamide
CID 2811806
N'-(3-methylphenyl)-4-propylbenzohydrazide
CID 2812378
N-(4-{[2-(2-methylbenzoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 730403
4-Methyl-3-{[(4-methylphenyl)amino]sulfonyl}benzamide
CID 967339
4-{[(2,5-Dimethylphenyl)sulfonyl]amino}benzamide
CID 2579226
N-(4-{[2-(4-methylbenzoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 4356144
4-(N''-Pentafluorobenzoyl-hydrazino)-benzenesulfonamide
CID 10643532
4-[N''-(2-Propyl-pentanoyl)-hydrazino]-benzenesulfonamide
CID 11141517
(1Z,2E)-2-(benzoylhydrazinylidene)-N-(4-sulfamoylphenyl)propanehydrazonoyl chloride
CID 73056157
N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide
CID 155543095

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide (CID 2811811) is 4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide is CCc1ccc(C(=O)NNc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide?
The InChIKey is DNETXORZKQNHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-2-11-3-5-12(6-4-11)15(19)18-17-13-7-9-14(10-8-13)22(16,20)21/h3-10,17H,2H2,1H3,(H,18,19)(H2,16,20,21).
What are the key properties of 4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide?
4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide has a molecular weight of 319.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylbenzoyl)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 2811811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).