(Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium

C13H14N4O3S — CID 137072672

IUPAC(Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium
SMILESCc1ccc(/[N+]([O-])=N/Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H14N4O3S/c1-10-2-6-12(7-3-10)17(18)16-15-11-4-8-13(9-5-11)21(14,19)20/h2-9,15H,1H3,(H2,14,19,20)/b17-16-
InChIKeyRAOFJKZIMQUBKK-MSUUIHNZSA-N
MW306.35 g/mol
LogP2.26
Rot. Bonds4

About (Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium

(Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium (PubChem CID 137072672) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is (Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium.

Molecular Properties

Compound Name(Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium
PubChem CID137072672
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name(Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium
SMILESCc1ccc(/[N+]([O-])=N/Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H14N4O3S/c1-10-2-6-12(7-3-10)17(18)16-15-11-4-8-13(9-5-11)21(14,19)20/h2-9,15H,1H3,(H2,14,19,20)/b17-16-
InChIKeyRAOFJKZIMQUBKK-MSUUIHNZSA-N
XLogP2.26
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
acetonitrile;4-methylbenzenesulfonamide
CID 67578872
(Z)-[[4-(acetylsulfamoyl)phenyl]hydrazinylidene]-[4-(carboxymethyl)phenyl]-oxidoazanium
CID 163183674
4-(4-methylphenyl)sulfonyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 9461260
aminourea;4-methylbenzenesulfonamide
CID 174801132
4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4646161
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
(4-methylphenyl)-oxido-[[2-(trifluoromethyl)phenyl]hydrazinylidene]azanium
CID 155292908
2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide
CID 162395521
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402

Frequently Asked Questions

What is the IUPAC name of (Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium?
The IUPAC name of (Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium (CID 137072672) is (Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium.
What is the SMILES notation for (Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium?
The canonical SMILES for (Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium is Cc1ccc(/[N+]([O-])=N/Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of (Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium?
The InChIKey is RAOFJKZIMQUBKK-MSUUIHNZSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-10-2-6-12(7-3-10)17(18)16-15-11-4-8-13(9-5-11)21(14,19)20/h2-9,15H,1H3,(H2,14,19,20)/b17-16-.
What are the key properties of (Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium?
(Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium has a molecular weight of 306.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium is sourced from PubChem (CID 137072672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).