2-(3-aminopropanoyl)-N-diazobenzenesulfonamide

C9H10N4O3S — CID 142695066

IUPAC2-(3-aminopropanoyl)-N-diazobenzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccccc1C(=O)CCN
InChIInChI=1S/C9H10N4O3S/c10-6-5-8(14)7-3-1-2-4-9(7)17(15,16)13-12-11/h1-4H,5-6,10H2
InChIKeyDYDDSYOQWPNDQN-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.22
Rot. Bonds5

About 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide

2-(3-aminopropanoyl)-N-diazobenzenesulfonamide (PubChem CID 142695066) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide.

Molecular Properties

Compound Name2-(3-aminopropanoyl)-N-diazobenzenesulfonamide
PubChem CID142695066
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name2-(3-aminopropanoyl)-N-diazobenzenesulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccccc1C(=O)CCN
InChIInChI=1S/C9H10N4O3S/c10-6-5-8(14)7-3-1-2-4-9(7)17(15,16)13-12-11/h1-4H,5-6,10H2
InChIKeyDYDDSYOQWPNDQN-UHFFFAOYSA-N
XLogP1.22
TPSA125.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide 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

methyl 2-azidosulfonylbenzoate
CID 25128429
3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one
CID 117421840
N-(2-azidosulfonylphenyl)acetamide
CID 87142558
2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide
CID 19882754
2-N-diazo-1-N-methylbenzene-1,2-disulfonamide
CID 21284140
3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one
CID 117316970
3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one
CID 115113429
2-(2-aminoacetyl)-N,N-dimethylbenzenesulfonamide
CID 170861049
2-azido-1-(2-fluorophenyl)ethanone
CID 53416484
3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one
CID 82601573
4-amino-1-(2-aminophenyl)butan-1-one
CID 54530410
2-[(E)-1,2-diazido-3-oxo-3-phenylprop-1-enyl]benzenesulfonic acid
CID 175776259

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide?
The IUPAC name of 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide (CID 142695066) is 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide.
What is the SMILES notation for 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide?
The canonical SMILES for 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide is [N-]=[N+]=NS(=O)(=O)c1ccccc1C(=O)CCN.
What is the InChIKey of 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide?
The InChIKey is DYDDSYOQWPNDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c10-6-5-8(14)7-3-1-2-4-9(7)17(15,16)13-12-11/h1-4H,5-6,10H2.
What are the key properties of 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide?
2-(3-aminopropanoyl)-N-diazobenzenesulfonamide has a molecular weight of 254.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropanoyl)-N-diazobenzenesulfonamide is sourced from PubChem (CID 142695066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).