sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide

C14H12NNaO3S — CID 134876566

IUPACsodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-]c2ccccc2C=O)cc1.[Na+]
InChIInChI=1S/C14H13NO3S.Na/c1-11-6-8-13(9-7-11)19(17,18)15-14-5-3-2-4-12(14)10-16;/h2-10H,1H3,(H,15,16);/q;+1/p-1
InChIKeyGADNTKIEDYPUKZ-UHFFFAOYSA-M
MW297.31 g/mol
LogP0.21
Rot. Bonds4

About sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide

sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide (PubChem CID 134876566) has the molecular formula C14H12NNaO3S and a molecular weight of 297.31 g/mol. Its IUPAC name is sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide.

Molecular Properties

Compound Namesodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide
PubChem CID134876566
Molecular FormulaC14H12NNaO3S
Molecular Weight297.31 g/mol
Exact Mass297.04
IUPAC Namesodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-]c2ccccc2C=O)cc1.[Na+]
InChIInChI=1S/C14H13NO3S.Na/c1-11-6-8-13(9-7-11)19(17,18)15-14-5-3-2-4-12(14)10-16;/h2-10H,1H3,(H,15,16);/q;+1/p-1
InChIKeyGADNTKIEDYPUKZ-UHFFFAOYSA-M
XLogP0.21
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium
CID 138966805
N-(2-formylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 139086666
bis([2-[(E)-(benzoylhydrazinylidene)methyl]phenyl]-(4-methylphenyl)sulfonylazanide);bis((NE,Z)-N-[[2-(4-methylphenyl)sulfonylazanidylphenyl]methylidene]benzenecarbohydrazonate);bis(ytterbium(3+));tetrahydrate
CID 139172346
bis-(4-methylphenyl)sulfonylazanide;gold(1+)
CID 177449969
gold(3+);(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;2-(phenylmethyl)pyridine
CID 54679765
(4-methylphenyl)sulfonyl-(4-tritylphenyl)azanide
CID 177423613
[2-(4-dimethylsulfonio-5-oxo-5-phenylpent-1-en-3-yl)phenyl]-(4-methylphenyl)sulfonylazanide
CID 177487463
1-(4-methylphenyl)sulfonylindole-4-carbaldehyde
CID 13115093
disodium;toluene;sulfate
CID 18504497
4-methyl-1-(4-methylphenyl)sulfonylpyrrole-3-carbaldehyde
CID 102335687
(2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide
CID 4743595
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088

Frequently Asked Questions

What is the IUPAC name of sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide?
The IUPAC name of sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide (CID 134876566) is sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide.
What is the SMILES notation for sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide?
The canonical SMILES for sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide is Cc1ccc(S(=O)(=O)[N-]c2ccccc2C=O)cc1.[Na+].
What is the InChIKey of sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide?
The InChIKey is GADNTKIEDYPUKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO3S.Na/c1-11-6-8-13(9-7-11)19(17,18)15-14-5-3-2-4-12(14)10-16;/h2-10H,1H3,(H,15,16);/q;+1/p-1.
What are the key properties of sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide?
sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide has a molecular weight of 297.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide is sourced from PubChem (CID 134876566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).