3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide

C10H12N4O4S — CID 23322483

IUPAC3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide
SMILESNc1ccc(S(=O)(=O)NC(=O)N2CC(N)C2=O)cc1
InChIInChI=1S/C10H12N4O4S/c11-6-1-3-7(4-2-6)19(17,18)13-10(16)14-5-8(12)9(14)15/h1-4,8H,5,11-12H2,(H,13,16)
InChIKeyQKIJRTKZZHBWCK-UHFFFAOYSA-N
MW284.30 g/mol
LogP-1.16
Rot. Bonds2

About 3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide

3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide (PubChem CID 23322483) has the molecular formula C10H12N4O4S and a molecular weight of 284.30 g/mol. Its IUPAC name is 3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide
PubChem CID23322483
Molecular FormulaC10H12N4O4S
Molecular Weight284.30 g/mol
Exact Mass284.06
IUPAC Name3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide
SMILESNc1ccc(S(=O)(=O)NC(=O)N2CC(N)C2=O)cc1
InChIInChI=1S/C10H12N4O4S/c11-6-1-3-7(4-2-6)19(17,18)13-10(16)14-5-8(12)9(14)15/h1-4,8H,5,11-12H2,(H,13,16)
InChIKeyQKIJRTKZZHBWCK-UHFFFAOYSA-N
XLogP-1.16
TPSA135.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide?
The IUPAC name of 3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide (CID 23322483) is 3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide is Nc1ccc(S(=O)(=O)NC(=O)N2CC(N)C2=O)cc1.
What is the InChIKey of 3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide?
The InChIKey is QKIJRTKZZHBWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S/c11-6-1-3-7(4-2-6)19(17,18)13-10(16)14-5-8(12)9(14)15/h1-4,8H,5,11-12H2,(H,13,16).
What are the key properties of 3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide?
3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide has a molecular weight of 284.30 g/mol, XLogP of -1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide is sourced from PubChem (CID 23322483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).