(4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide

C15H15N2O2S- — CID 134855500

IUPAC(4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide
SMILESC/C(=N\[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C15H15N2O2S/c1-12-8-10-15(11-9-12)20(18,19)17-16-13(2)14-6-4-3-5-7-14/h3-11H,1-2H3/q-1/b16-13+
InChIKeyGQAUODOEGRSJQP-DTQAZKPQSA-N
MW287.36 g/mol
LogP3.48
Rot. Bonds4

About (4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide

(4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide (PubChem CID 134855500) has the molecular formula C15H15N2O2S- and a molecular weight of 287.36 g/mol. Its IUPAC name is (4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide.

Molecular Properties

Compound Name(4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide
PubChem CID134855500
Molecular FormulaC15H15N2O2S-
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name(4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide
SMILESC/C(=N\[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C15H15N2O2S/c1-12-8-10-15(11-9-12)20(18,19)17-16-13(2)14-6-4-3-5-7-14/h3-11H,1-2H3/q-1/b16-13+
InChIKeyGQAUODOEGRSJQP-DTQAZKPQSA-N
XLogP3.48
TPSA60.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.48
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

4-methylbenzenesulfonic acid;N-(1-phenylethylidene)hydroxylamine
CID 87376058
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide
CID 12577971
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
CID 102129637
bis-(4-methylphenyl)sulfonylazanide;gold(1+)
CID 177449969
benzene;4-methylbenzenesulfonic acid
CID 22637252
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium
CID 138966805
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide?
The IUPAC name of (4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide (CID 134855500) is (4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide.
What is the SMILES notation for (4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide?
The canonical SMILES for (4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide is C/C(=N\[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide?
The InChIKey is GQAUODOEGRSJQP-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H15N2O2S/c1-12-8-10-15(11-9-12)20(18,19)17-16-13(2)14-6-4-3-5-7-14/h3-11H,1-2H3/q-1/b16-13+.
What are the key properties of (4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide?
(4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide has a molecular weight of 287.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide is sourced from PubChem (CID 134855500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).