2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide

C11H13N5O4S — CID 71384387

IUPAC2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N=[N+]=[N-])cc1
InChIInChI=1S/C11H13N5O4S/c1-8-2-4-9(5-3-8)21(19,20)14-7-10(17)13-6-11(18)15-16-12/h2-5,14H,6-7H2,1H3,(H,13,17)
InChIKeyROIBEAFFMUEOEF-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.23
Rot. Bonds6

About 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide

2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide (PubChem CID 71384387) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide.

Molecular Properties

Compound Name2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide
PubChem CID71384387
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Name2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N=[N+]=[N-])cc1
InChIInChI=1S/C11H13N5O4S/c1-8-2-4-9(5-3-8)21(19,20)14-7-10(17)13-6-11(18)15-16-12/h2-5,14H,6-7H2,1H3,(H,13,17)
InChIKeyROIBEAFFMUEOEF-UHFFFAOYSA-N
XLogP0.23
TPSA141.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 9035264
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784
N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9203847
N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9155582
2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 6457026
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
N-[(3-chlorophenyl)methyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9209869
[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061234
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163
N-(3,4-dichlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 34735877
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9426580
N-(3-chlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9042351

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide?
The IUPAC name of 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide (CID 71384387) is 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide.
What is the SMILES notation for 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide?
The canonical SMILES for 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N=[N+]=[N-])cc1.
What is the InChIKey of 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide?
The InChIKey is ROIBEAFFMUEOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-8-2-4-9(5-3-8)21(19,20)14-7-10(17)13-6-11(18)15-16-12/h2-5,14H,6-7H2,1H3,(H,13,17).
What are the key properties of 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide?
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide has a molecular weight of 311.32 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetyl azide is sourced from PubChem (CID 71384387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).