2-(3-azidoprop-1-enyl)benzenesulfonamide

C9H10N4O2S — CID 169462115

IUPAC2-(3-azidoprop-1-enyl)benzenesulfonamide
SMILES[N-]=[N+]=NCC=Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H10N4O2S/c10-13-12-7-3-5-8-4-1-2-6-9(8)16(11,14)15/h1-6H,7H2,(H2,11,14,15)
InChIKeyMPDRVMXLVBUJDU-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.66
Rot. Bonds4

About 2-(3-azidoprop-1-enyl)benzenesulfonamide

2-(3-azidoprop-1-enyl)benzenesulfonamide (PubChem CID 169462115) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)benzenesulfonamide
PubChem CID169462115
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name2-(3-azidoprop-1-enyl)benzenesulfonamide
SMILES[N-]=[N+]=NCC=Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H10N4O2S/c10-13-12-7-3-5-8-4-1-2-6-9(8)16(11,14)15/h1-6H,7H2,(H2,11,14,15)
InChIKeyMPDRVMXLVBUJDU-UHFFFAOYSA-N
XLogP1.66
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
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

2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride
CID 169462001
2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide
CID 6186872
1-(3-azidoprop-1-enyl)-2-phenylbenzene
CID 150043798
1-(3-azidoprop-1-enyl)-2-(bromomethyl)benzene
CID 169462718
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
CID 169461306
3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde
CID 169462862
2-(3-azidoprop-1-enyl)benzenecarboximidamide
CID 169461706
2-(2-phenylethenyl)benzenesulfonamide
CID 149433310
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
4-amino-2-(3-azidoprop-1-enyl)phenol
CID 169461517

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)benzenesulfonamide?
The IUPAC name of 2-(3-azidoprop-1-enyl)benzenesulfonamide (CID 169462115) is 2-(3-azidoprop-1-enyl)benzenesulfonamide.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)benzenesulfonamide?
The canonical SMILES for 2-(3-azidoprop-1-enyl)benzenesulfonamide is [N-]=[N+]=NCC=Cc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(3-azidoprop-1-enyl)benzenesulfonamide?
The InChIKey is MPDRVMXLVBUJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-13-12-7-3-5-8-4-1-2-6-9(8)16(11,14)15/h1-6H,7H2,(H2,11,14,15).
What are the key properties of 2-(3-azidoprop-1-enyl)benzenesulfonamide?
2-(3-azidoprop-1-enyl)benzenesulfonamide has a molecular weight of 238.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)benzenesulfonamide is sourced from PubChem (CID 169462115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).