sodium N'-(benzenesulfonyl)benzohydrazide

C13H12N2NaO3S+ — CID 54612136

IUPACsodium N'-(benzenesulfonyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C13H12N2O3S.Na/c16-13(11-7-3-1-4-8-11)14-15-19(17,18)12-9-5-2-6-10-12;/h1-10,15H,(H,14,16);/q;+1
InChIKeyPYPZOLBVWCDWEI-UHFFFAOYSA-N
MW299.31 g/mol
LogP-1.69
Rot. Bonds4

About sodium N'-(benzenesulfonyl)benzohydrazide

sodium N'-(benzenesulfonyl)benzohydrazide (PubChem CID 54612136) has the molecular formula C13H12N2NaO3S+ and a molecular weight of 299.31 g/mol. Its IUPAC name is sodium N'-(benzenesulfonyl)benzohydrazide.

Molecular Properties

Compound Namesodium N'-(benzenesulfonyl)benzohydrazide
PubChem CID54612136
Molecular FormulaC13H12N2NaO3S+
Molecular Weight299.31 g/mol
Exact Mass299.05
IUPAC Namesodium N'-(benzenesulfonyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C13H12N2O3S.Na/c16-13(11-7-3-1-4-8-11)14-15-19(17,18)12-9-5-2-6-10-12;/h1-10,15H,(H,14,16);/q;+1
InChIKeyPYPZOLBVWCDWEI-UHFFFAOYSA-N
XLogP-1.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide
CID 10172619
N'-(benzenesulfonyl)-3-bromobenzohydrazide
CID 1035450
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
N'-(benzenesulfonyl)naphthalene-2-carbohydrazide
CID 91444236
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide
CID 1428605
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292
N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 26966737
4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid
CID 155949885
N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide
CID 165352501
1-benzamido-3-(4-methylphenyl)sulfonylurea
CID 4142958
N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282

Frequently Asked Questions

What is the IUPAC name of sodium N'-(benzenesulfonyl)benzohydrazide?
The IUPAC name of sodium N'-(benzenesulfonyl)benzohydrazide (CID 54612136) is sodium N'-(benzenesulfonyl)benzohydrazide.
What is the SMILES notation for sodium N'-(benzenesulfonyl)benzohydrazide?
The canonical SMILES for sodium N'-(benzenesulfonyl)benzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1ccccc1.[Na+].
What is the InChIKey of sodium N'-(benzenesulfonyl)benzohydrazide?
The InChIKey is PYPZOLBVWCDWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S.Na/c16-13(11-7-3-1-4-8-11)14-15-19(17,18)12-9-5-2-6-10-12;/h1-10,15H,(H,14,16);/q;+1.
What are the key properties of sodium N'-(benzenesulfonyl)benzohydrazide?
sodium N'-(benzenesulfonyl)benzohydrazide has a molecular weight of 299.31 g/mol, XLogP of -1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N'-(benzenesulfonyl)benzohydrazide is sourced from PubChem (CID 54612136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).