N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

C8H11N3O3S — CID 867300

IUPACN-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESNNC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11N3O3S/c9-11-8(12)6-10-15(13,14)7-4-2-1-3-5-7/h1-5,10H,6,9H2,(H,11,12)
InChIKeyMTPQROAGBZYQKF-UHFFFAOYSA-N
MW229.26 g/mol
LogP-1.05
Rot. Bonds4

About N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (PubChem CID 867300) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
PubChem CID867300
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESNNC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11N3O3S/c9-11-8(12)6-10-15(13,14)7-4-2-1-3-5-7/h1-5,10H,6,9H2,(H,11,12)
InChIKeyMTPQROAGBZYQKF-UHFFFAOYSA-N
XLogP-1.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-1.05
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (CID 867300) is N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is NNC(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The InChIKey is MTPQROAGBZYQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c9-11-8(12)6-10-15(13,14)7-4-2-1-3-5-7/h1-5,10H,6,9H2,(H,11,12).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide has a molecular weight of 229.26 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 867300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).