(4-acetamidophenyl)sulfonylimino-methylazanium

C9H12N3O3S+ — CID 145222283

IUPAC(4-acetamidophenyl)sulfonylimino-methylazanium
SMILESC/[NH+]=N/S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C9H11N3O3S/c1-7(13)11-8-3-5-9(6-4-8)16(14,15)12-10-2/h3-6H,1-2H3,(H,11,13)/p+1/b12-10+
InChIKeyKCUQJQLLSMSCHU-ZRDIBKRKSA-O
MW242.28 g/mol
LogP-0.50
Rot. Bonds3

About (4-acetamidophenyl)sulfonylimino-methylazanium

(4-acetamidophenyl)sulfonylimino-methylazanium (PubChem CID 145222283) has the molecular formula C9H12N3O3S+ and a molecular weight of 242.28 g/mol. Its IUPAC name is (4-acetamidophenyl)sulfonylimino-methylazanium.

Molecular Properties

Compound Name(4-acetamidophenyl)sulfonylimino-methylazanium
PubChem CID145222283
Molecular FormulaC9H12N3O3S+
Molecular Weight242.28 g/mol
Exact Mass242.06
IUPAC Name(4-acetamidophenyl)sulfonylimino-methylazanium
SMILESC/[NH+]=N/S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C9H11N3O3S/c1-7(13)11-8-3-5-9(6-4-8)16(14,15)12-10-2/h3-6H,1-2H3,(H,11,13)/p+1/b12-10+
InChIKeyKCUQJQLLSMSCHU-ZRDIBKRKSA-O
XLogP-0.50
TPSA89.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-acetamidophenyl)sulfonylimino-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-(4-azidosulfonylphenyl)acetamide
CID 5129185
4-acetamidobenzenesulfonic acid chloride
CID 53446633
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
N-[4-[(triphenyl-λ5-phosphanylidene)amino]sulfonylphenyl]acetamide
CID 139078728
N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
CID 148879032
N-(4-carbamoylsulfonylphenyl)acetamide
CID 117038027
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754
ethyl 4-acetamidobenzenesulfonate
CID 91726392
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
CID 57349684
CID 57349684

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl)sulfonylimino-methylazanium?
The IUPAC name of (4-acetamidophenyl)sulfonylimino-methylazanium (CID 145222283) is (4-acetamidophenyl)sulfonylimino-methylazanium.
What is the SMILES notation for (4-acetamidophenyl)sulfonylimino-methylazanium?
The canonical SMILES for (4-acetamidophenyl)sulfonylimino-methylazanium is C/[NH+]=N/S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of (4-acetamidophenyl)sulfonylimino-methylazanium?
The InChIKey is KCUQJQLLSMSCHU-ZRDIBKRKSA-O. The full InChI is InChI=1S/C9H11N3O3S/c1-7(13)11-8-3-5-9(6-4-8)16(14,15)12-10-2/h3-6H,1-2H3,(H,11,13)/p+1/b12-10+.
What are the key properties of (4-acetamidophenyl)sulfonylimino-methylazanium?
(4-acetamidophenyl)sulfonylimino-methylazanium has a molecular weight of 242.28 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl)sulfonylimino-methylazanium is sourced from PubChem (CID 145222283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).