2-azido-N,N-diethylbenzenesulfonamide

C10H14N4O2S — CID 150957201

IUPAC2-azido-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C10H14N4O2S/c1-3-14(4-2)17(15,16)10-8-6-5-7-9(10)12-13-11/h5-8H,3-4H2,1-2H3
InChIKeyLLIFIPGDMYUPPA-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.66
Rot. Bonds5

About 2-azido-N,N-diethylbenzenesulfonamide

2-azido-N,N-diethylbenzenesulfonamide (PubChem CID 150957201) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-azido-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name2-azido-N,N-diethylbenzenesulfonamide
PubChem CID150957201
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name2-azido-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C10H14N4O2S/c1-3-14(4-2)17(15,16)10-8-6-5-7-9(10)12-13-11/h5-8H,3-4H2,1-2H3
InChIKeyLLIFIPGDMYUPPA-UHFFFAOYSA-N
XLogP2.66
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
2-azido-N-(2-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 169326125
2-(aminomethyl)-N,N-diethylbenzenesulfonamide
CID 16783834
N-[2-(diethylsulfamoyl)phenyl]formamide
CID 168651949
3-azido-N,N-dibutyl-4-chlorobenzenesulfonamide
CID 150333076
2-amino-N,N-diethylpyridine-3-sulfonamide
CID 62150875
methyl 4-[(2-azidophenyl)sulfonylamino]benzoate
CID 102236482
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60980494
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937

Frequently Asked Questions

What is the IUPAC name of 2-azido-N,N-diethylbenzenesulfonamide?
The IUPAC name of 2-azido-N,N-diethylbenzenesulfonamide (CID 150957201) is 2-azido-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 2-azido-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 2-azido-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccccc1N=[N+]=[N-].
What is the InChIKey of 2-azido-N,N-diethylbenzenesulfonamide?
The InChIKey is LLIFIPGDMYUPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-3-14(4-2)17(15,16)10-8-6-5-7-9(10)12-13-11/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-azido-N,N-diethylbenzenesulfonamide?
2-azido-N,N-diethylbenzenesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 150957201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).