N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate

C8H13N2NiO3S- — CID 163246256

IUPACN-(2-aminoethyl)benzenesulfonamide;nickel;hydrate
SMILESNCCNS(=O)(=O)c1[c-]cccc1.O.[Ni]
InChIInChI=1S/C8H11N2O2S.Ni.H2O/c9-6-7-10-13(11,12)8-4-2-1-3-5-8;;/h1-4,10H,6-7,9H2;;1H2/q-1;;
InChIKeyDCIRNZCXWZQKSS-UHFFFAOYSA-N
MW275.96 g/mol
LogP-1.10
Rot. Bonds4

About N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate

N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate (PubChem CID 163246256) has the molecular formula C8H13N2NiO3S- and a molecular weight of 275.96 g/mol. Its IUPAC name is N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate.

Molecular Properties

Compound NameN-(2-aminoethyl)benzenesulfonamide;nickel;hydrate
PubChem CID163246256
Molecular FormulaC8H13N2NiO3S-
Molecular Weight275.96 g/mol
Exact Mass275.00
IUPAC NameN-(2-aminoethyl)benzenesulfonamide;nickel;hydrate
SMILESNCCNS(=O)(=O)c1[c-]cccc1.O.[Ni]
InChIInChI=1S/C8H11N2O2S.Ni.H2O/c9-6-7-10-13(11,12)8-4-2-1-3-5-8;;/h1-4,10H,6-7,9H2;;1H2/q-1;;
InChIKeyDCIRNZCXWZQKSS-UHFFFAOYSA-N
XLogP-1.10
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.96
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate 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-(2-aminoethyl)benzenesulfonamide;nickel;hydrate?
The IUPAC name of N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate (CID 163246256) is N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate.
What is the SMILES notation for N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate?
The canonical SMILES for N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate is NCCNS(=O)(=O)c1[c-]cccc1.O.[Ni].
What is the InChIKey of N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate?
The InChIKey is DCIRNZCXWZQKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2O2S.Ni.H2O/c9-6-7-10-13(11,12)8-4-2-1-3-5-8;;/h1-4,10H,6-7,9H2;;1H2/q-1;;.
What are the key properties of N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate?
N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate has a molecular weight of 275.96 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)benzenesulfonamide;nickel;hydrate is sourced from PubChem (CID 163246256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).