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

C8H12N4O3S — CID 10752797

IUPAC4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide
SMILESNCC(=O)NNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H12N4O3S/c9-5-8(13)12-11-6-1-3-7(4-2-6)16(10,14)15/h1-4,11H,5,9H2,(H,12,13)(H2,10,14,15)
InChIKeyATOIZLGOZVMFQV-UHFFFAOYSA-N
MW244.28 g/mol
LogP-1.26
Rot. Bonds4

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

4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide (PubChem CID 10752797) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide
PubChem CID10752797
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide
SMILESNCC(=O)NNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H12N4O3S/c9-5-8(13)12-11-6-1-3-7(4-2-6)16(10,14)15/h1-4,11H,5,9H2,(H,12,13)(H2,10,14,15)
InChIKeyATOIZLGOZVMFQV-UHFFFAOYSA-N
XLogP-1.26
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide (CID 10752797) is 4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide is NCC(=O)NNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide?
The InChIKey is ATOIZLGOZVMFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c9-5-8(13)12-11-6-1-3-7(4-2-6)16(10,14)15/h1-4,11H,5,9H2,(H,12,13)(H2,10,14,15).
What are the key properties of 4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide?
4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide has a molecular weight of 244.28 g/mol, XLogP of -1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoacetyl)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 10752797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).