Molecule

sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate

Chemical Information

Molecular Image

InChI	InChI=1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1;;;
SMILES	[Na]N(S(=O)(=O)c1ccc(cc1)C)Cl.O.O.O
InChI Key	NZYOAGBNMCVQIV-UHFFFAOYSA-N
Exact Mass	281.690 g/mol

7 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

1H--1H correlation spectroscopy (1H-1H COSY)

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol8415
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEMBL1591636	chembl
353112	surechembl
517414	pubchem
4IU6VSV0EI	fdasrs
PD099922	probes_and_drugs
DTXSID6040795	comptox
Molport-023-221-823	molport
Molport-039-144-980	molport
The data in this table is sourced from UniChem at EBI.