[(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid

C9H12N2O3S — CID 45098057

IUPAC[(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid
SMILESC/C(=N/NS(=O)(=O)O)c1ccc(C)cc1
InChIInChI=1S/C9H12N2O3S/c1-7-3-5-9(6-4-7)8(2)10-11-15(12,13)14/h3-6,11H,1-2H3,(H,12,13,14)/b10-8-
InChIKeyZTODTZMKSBLZEP-NTMALXAHSA-N
MW228.27 g/mol
LogP1.11
Rot. Bonds3

About [(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid

[(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid (PubChem CID 45098057) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is [(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid.

Molecular Properties

Compound Name[(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid
PubChem CID45098057
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name[(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid
SMILESC/C(=N/NS(=O)(=O)O)c1ccc(C)cc1
InChIInChI=1S/C9H12N2O3S/c1-7-3-5-9(6-4-7)8(2)10-11-15(12,13)14/h3-6,11H,1-2H3,(H,12,13,14)/b10-8-
InChIKeyZTODTZMKSBLZEP-NTMALXAHSA-N
XLogP1.11
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
CID 881463
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
4-methyl-N-[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
CID 102442285
2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine
CID 166987269
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 6173114
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 3263772
sulfuric acid;1,4-xylene
CID 18423372
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
[(4-methylphenyl)methylideneamino]sulfamic acid
CID 131859367

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid?
The IUPAC name of [(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid (CID 45098057) is [(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid.
What is the SMILES notation for [(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid?
The canonical SMILES for [(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid is C/C(=N/NS(=O)(=O)O)c1ccc(C)cc1.
What is the InChIKey of [(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid?
The InChIKey is ZTODTZMKSBLZEP-NTMALXAHSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-7-3-5-9(6-4-7)8(2)10-11-15(12,13)14/h3-6,11H,1-2H3,(H,12,13,14)/b10-8-.
What are the key properties of [(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid?
[(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid has a molecular weight of 228.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid is sourced from PubChem (CID 45098057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).