[(4-methylphenyl)methylideneamino]sulfamic acid

C8H10N2O3S — CID 131859367

IUPAC[(4-methylphenyl)methylideneamino]sulfamic acid
SMILESCc1ccc(C=NNS(=O)(=O)O)cc1
InChIInChI=1S/C8H10N2O3S/c1-7-2-4-8(5-3-7)6-9-10-14(11,12)13/h2-6,10H,1H3,(H,11,12,13)
InChIKeyJJUPOYCAYJNYHR-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.72
Rot. Bonds3

About [(4-methylphenyl)methylideneamino]sulfamic acid

[(4-methylphenyl)methylideneamino]sulfamic acid (PubChem CID 131859367) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is [(4-methylphenyl)methylideneamino]sulfamic acid.

Molecular Properties

Compound Name[(4-methylphenyl)methylideneamino]sulfamic acid
PubChem CID131859367
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name[(4-methylphenyl)methylideneamino]sulfamic acid
SMILESCc1ccc(C=NNS(=O)(=O)O)cc1
InChIInChI=1S/C8H10N2O3S/c1-7-2-4-8(5-3-7)6-9-10-14(11,12)13/h2-6,10H,1H3,(H,11,12,13)
InChIKeyJJUPOYCAYJNYHR-UHFFFAOYSA-N
XLogP0.72
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.72
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

N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
5-tert-butyl-2-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 110515953
1-(tert-butylsulfamoyliminomethyl)-4-methylbenzene
CID 102497387
N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6248388
4-methyl-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
CID 129072059
2-[4-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]propanoic acid
CID 5350476
2-[4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]propanoic acid
CID 2897793
4-methyl-N-[(4-methylphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 4858281
sulfuric acid;1,4-xylene
CID 18423372
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5439954
[(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid
CID 45098057

Frequently Asked Questions

What is the IUPAC name of [(4-methylphenyl)methylideneamino]sulfamic acid?
The IUPAC name of [(4-methylphenyl)methylideneamino]sulfamic acid (CID 131859367) is [(4-methylphenyl)methylideneamino]sulfamic acid.
What is the SMILES notation for [(4-methylphenyl)methylideneamino]sulfamic acid?
The canonical SMILES for [(4-methylphenyl)methylideneamino]sulfamic acid is Cc1ccc(C=NNS(=O)(=O)O)cc1.
What is the InChIKey of [(4-methylphenyl)methylideneamino]sulfamic acid?
The InChIKey is JJUPOYCAYJNYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-7-2-4-8(5-3-7)6-9-10-14(11,12)13/h2-6,10H,1H3,(H,11,12,13).
What are the key properties of [(4-methylphenyl)methylideneamino]sulfamic acid?
[(4-methylphenyl)methylideneamino]sulfamic acid has a molecular weight of 214.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylphenyl)methylideneamino]sulfamic acid is sourced from PubChem (CID 131859367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).