sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide

C11H13N2NaO2S — CID 134891456

IUPACsodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide
SMILESC/C=C/C=N/[N-]S(=O)(=O)c1ccc(C)cc1.[Na+]
InChIInChI=1S/C11H13N2O2S.Na/c1-3-4-9-12-13-16(14,15)11-7-5-10(2)6-8-11;/h3-9H,1-2H3;/q-1;+1/b4-3+,12-9+;
InChIKeyZUPXSZKJEANLHI-ALRXLZRNSA-N
MW260.29 g/mol
LogP-0.38
Rot. Bonds4

About sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide

sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide (PubChem CID 134891456) has the molecular formula C11H13N2NaO2S and a molecular weight of 260.29 g/mol. Its IUPAC name is sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide.

Molecular Properties

Compound Namesodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide
PubChem CID134891456
Molecular FormulaC11H13N2NaO2S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Namesodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide
SMILESC/C=C/C=N/[N-]S(=O)(=O)c1ccc(C)cc1.[Na+]
InChIInChI=1S/C11H13N2O2S.Na/c1-3-4-9-12-13-16(14,15)11-7-5-10(2)6-8-11;/h3-9H,1-2H3;/q-1;+1/b4-3+,12-9+;
InChIKeyZUPXSZKJEANLHI-ALRXLZRNSA-N
XLogP-0.38
TPSA60.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
CID 177419048
sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide
CID 168976257
bis-(4-methylphenyl)sulfonylazanide;gold(1+)
CID 177449969
(4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide
CID 134855500
N-(4-methylphenyl)but-2-en-1-imine
CID 71345693
sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide
CID 177427287
2-azanidylethyl-(4-methylphenyl)sulfonylazanide;chlororuthenium(2+);yttrium
CID 144771535
1-methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene
CID 10570649
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene
CID 88780829
sodium (2-formylphenyl)-(4-methylphenyl)sulfonylazanide
CID 134876566

Frequently Asked Questions

What is the IUPAC name of sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide?
The IUPAC name of sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide (CID 134891456) is sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide.
What is the SMILES notation for sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide?
The canonical SMILES for sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide is C/C=C/C=N/[N-]S(=O)(=O)c1ccc(C)cc1.[Na+].
What is the InChIKey of sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide?
The InChIKey is ZUPXSZKJEANLHI-ALRXLZRNSA-N. The full InChI is InChI=1S/C11H13N2O2S.Na/c1-3-4-9-12-13-16(14,15)11-7-5-10(2)6-8-11;/h3-9H,1-2H3;/q-1;+1/b4-3+,12-9+;.
What are the key properties of sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide?
sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide has a molecular weight of 260.29 g/mol, XLogP of -0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide is sourced from PubChem (CID 134891456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).