N-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

C10H14FN3O3S — CID 4011454

IUPACN-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESCCN(CC(=O)NN)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FN3O3S/c1-2-14(7-10(15)13-12)18(16,17)9-5-3-8(11)4-6-9/h3-6H,2,7,12H2,1H3,(H,13,15)
InChIKeyDCLKAIXVYZEBKX-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.17
Rot. Bonds5

About N-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

N-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (PubChem CID 4011454) has the molecular formula C10H14FN3O3S and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
PubChem CID4011454
Molecular FormulaC10H14FN3O3S
Molecular Weight275.31 g/mol
Exact Mass275.07
IUPAC NameN-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESCCN(CC(=O)NN)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FN3O3S/c1-2-14(7-10(15)13-12)18(16,17)9-5-3-8(11)4-6-9/h3-6H,2,7,12H2,1H3,(H,13,15)
InChIKeyDCLKAIXVYZEBKX-UHFFFAOYSA-N
XLogP-0.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.17
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-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide 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-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (CID 4011454) is N-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is CCN(CC(=O)NN)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The InChIKey is DCLKAIXVYZEBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-2-14(7-10(15)13-12)18(16,17)9-5-3-8(11)4-6-9/h3-6H,2,7,12H2,1H3,(H,13,15).
What are the key properties of N-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
N-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide has a molecular weight of 275.31 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 4011454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).