2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide

C14H19N3O3S — CID 71359359

IUPAC2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)C(=[N+]=[N-])S(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C14H19N3O3S/c1-10(2)17(11(3)4)14(18)13(16-15)21(19,20)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyVOVUGFBPLFVUFB-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.73
Rot. Bonds3

About 2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide

2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide (PubChem CID 71359359) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide
PubChem CID71359359
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)C(=[N+]=[N-])S(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C14H19N3O3S/c1-10(2)17(11(3)4)14(18)13(16-15)21(19,20)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyVOVUGFBPLFVUFB-UHFFFAOYSA-N
XLogP1.73
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(benzenesulfonyl)-N-tert-butyl-2-diazo-N-(1-phenylethyl)acetamide
CID 102522935
[3-[benzenesulfonyl(diazo)methyl]sulfanylbutan-2-ylsulfanyl-diazomethyl]sulfonylbenzene
CID 159829416
2-(benzenesulfonyl)-1-(4-chlorophenyl)-2-diazoethanone
CID 54486277
butyl 2-(benzenesulfonyl)-2-diazoacetate
CID 139981709
(4S)-1-(benzenesulfonyl)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-diazopentan-2-one
CID 135406577
3-azido-2-oxo-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 101021188
[benzenesulfonyl(diazo)methyl]benzene
CID 15258201
2-(benzenesulfonyl)-2-diazo-1-(4-ethyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 85374801
(E)-2-oxo-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 11470935
1-[benzenesulfonyl(diazo)methyl]-4-methoxybenzene
CID 18504486
2-diazo-2-(2-methyl-5-propan-2-ylphenyl)sulfonyl-1-phenylethanone
CID 58700210
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide (CID 71359359) is 2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)C(=[N+]=[N-])S(=O)(=O)c1ccccc1)C(C)C.
What is the InChIKey of 2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide?
The InChIKey is VOVUGFBPLFVUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10(2)17(11(3)4)14(18)13(16-15)21(19,20)12-8-6-5-7-9-12/h5-11H,1-4H3.
What are the key properties of 2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide?
2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide has a molecular weight of 309.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-diazo-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 71359359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).