N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide

C13H15N3O3S — CID 50895807

IUPACN-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)NN)c1cccc2ccccc12
InChIInChI=1S/C13H15N3O3S/c1-20(18,19)16(9-13(17)15-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9,14H2,1H3,(H,15,17)
InChIKeyNKIXGZBISKOEDP-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.60
Rot. Bonds4

About N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide

N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide (PubChem CID 50895807) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide
PubChem CID50895807
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)NN)c1cccc2ccccc12
InChIInChI=1S/C13H15N3O3S/c1-20(18,19)16(9-13(17)15-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9,14H2,1H3,(H,15,17)
InChIKeyNKIXGZBISKOEDP-UHFFFAOYSA-N
XLogP0.60
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
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-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 126130247
N-(2-fluorophenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 17312968
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 1317383
3-[methylsulfonyl(naphthalen-1-yl)amino]propanoic acid
CID 50895842
N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1100140
N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 50945576
N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1098117
N-[1-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43904526
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43896263
2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1372880
N-[(2,4-dichlorophenyl)methyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 51343008
N-(4-iodo-2-methylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 3554676

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide (CID 50895807) is N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide is CS(=O)(=O)N(CC(=O)NN)c1cccc2ccccc12.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide?
The InChIKey is NKIXGZBISKOEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-20(18,19)16(9-13(17)15-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9,14H2,1H3,(H,15,17).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide?
N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide is sourced from PubChem (CID 50895807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).