sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide

C13H17N2NaO2S — CID 168976257

IUPACsodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-]N=C2CCCCC2)cc1.[Na+]
InChIInChI=1S/C13H17N2O2S.Na/c1-11-7-9-13(10-8-11)18(16,17)15-14-12-5-3-2-4-6-12;/h7-10H,2-6H2,1H3;/q-1;+1
InChIKeyLWKXWXNDZIKPIQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.38
Rot. Bonds3

About sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide

sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide (PubChem CID 168976257) has the molecular formula C13H17N2NaO2S and a molecular weight of 288.35 g/mol. Its IUPAC name is sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide.

Molecular Properties

Compound Namesodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide
PubChem CID168976257
Molecular FormulaC13H17N2NaO2S
Molecular Weight288.35 g/mol
Exact Mass288.09
IUPAC Namesodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-]N=C2CCCCC2)cc1.[Na+]
InChIInChI=1S/C13H17N2O2S.Na/c1-11-7-9-13(10-8-11)18(16,17)15-14-12-5-3-2-4-6-12;/h7-10H,2-6H2,1H3;/q-1;+1
InChIKeyLWKXWXNDZIKPIQ-UHFFFAOYSA-N
XLogP0.38
TPSA60.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.38
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

sodium [(E)-(4,4-dimethyl-1-oxaspiro[4.4]nonan-2-ylidene)amino]-(4-methylphenyl)sulfonylazanide
CID 134877602
N-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]cyclopentanimine
CID 123854572
sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide
CID 134891456
bis-(4-methylphenyl)sulfonylazanide;gold(1+)
CID 177449969
sodium (4-methylphenyl)sulfonyl-[(E)-[7-[(Z)-prop-1-enoxy]-2,3-dihydroinden-1-ylidene]amino]azanide
CID 177427287
bis(cyclopentane);bis(4-methylbenzenesulfonic acid);titanium(2+)
CID 23230882
sodium (4-methylphenyl)sulfonyl-[(E)-[(1R,4S,6S)-6-trimethylsilyl-2-bicyclo[2.2.2]octanylidene]amino]azanide
CID 11740881
(4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide
CID 134855500
(NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine
CID 40572407
(1Z)-1-(4-methylphenyl)sulfonylcyclododecene
CID 134942172
N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide
CID 164668072
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088

Frequently Asked Questions

What is the IUPAC name of sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide?
The IUPAC name of sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide (CID 168976257) is sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide.
What is the SMILES notation for sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide?
The canonical SMILES for sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide is Cc1ccc(S(=O)(=O)[N-]N=C2CCCCC2)cc1.[Na+].
What is the InChIKey of sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide?
The InChIKey is LWKXWXNDZIKPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2O2S.Na/c1-11-7-9-13(10-8-11)18(16,17)15-14-12-5-3-2-4-6-12;/h7-10H,2-6H2,1H3;/q-1;+1.
What are the key properties of sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide?
sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide has a molecular weight of 288.35 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide is sourced from PubChem (CID 168976257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).