N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide

C16H19N3O3S — CID 3132811

IUPACN-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NN)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-7-9-14(10-8-12)23(21,22)19-15(16(20)18-17)11-13-5-3-2-4-6-13/h2-10,15,19H,11,17H2,1H3,(H,18,20)
InChIKeyXADHSRFALGIDAW-UHFFFAOYSA-N
MW333.41 g/mol
LogP0.87
Rot. Bonds6

About N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide

N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 3132811) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
PubChem CID3132811
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NN)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-7-9-14(10-8-12)23(21,22)19-15(16(20)18-17)11-13-5-3-2-4-6-13/h2-10,15,19H,11,17H2,1H3,(H,18,20)
InChIKeyXADHSRFALGIDAW-UHFFFAOYSA-N
XLogP0.87
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide (CID 3132811) is N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NN)cc1.
What is the InChIKey of N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is XADHSRFALGIDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-7-9-14(10-8-12)23(21,22)19-15(16(20)18-17)11-13-5-3-2-4-6-13/h2-10,15,19H,11,17H2,1H3,(H,18,20).
What are the key properties of N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide?
N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3132811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).