2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride

C9H8FN3O2S — CID 169462001

IUPAC2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride
SMILES[N-]=[N+]=NCC=Cc1ccccc1S(=O)(=O)F
InChIInChI=1S/C9H8FN3O2S/c10-16(14,15)9-6-2-1-4-8(9)5-3-7-12-13-11/h1-6H,7H2
InChIKeyUSVVSLRYADGPRW-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.67
Rot. Bonds4

About 2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride

2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride (PubChem CID 169462001) has the molecular formula C9H8FN3O2S and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride
PubChem CID169462001
Molecular FormulaC9H8FN3O2S
Molecular Weight241.25 g/mol
Exact Mass241.03
IUPAC Name2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride
SMILES[N-]=[N+]=NCC=Cc1ccccc1S(=O)(=O)F
InChIInChI=1S/C9H8FN3O2S/c10-16(14,15)9-6-2-1-4-8(9)5-3-7-12-13-11/h1-6H,7H2
InChIKeyUSVVSLRYADGPRW-UHFFFAOYSA-N
XLogP2.67
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.67
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

2-(3-azidoprop-1-enyl)benzenesulfonamide
CID 169462115
2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
2-(3-chloroprop-1-enyl)benzenesulfonyl fluoride
CID 169477591
2-(4-oxobut-1-enyl)benzenesulfonyl fluoride
CID 170482138
1-(3-azidoprop-1-enyl)-2-phenylbenzene
CID 150043798
1-(3-azidoprop-1-enyl)-2-(bromomethyl)benzene
CID 169462718
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)-6-methylphenol
CID 169461388
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
[3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol
CID 169461646
3-[2-(3-azidoprop-1-enyl)phenyl]-3-oxopropanenitrile
CID 169462375

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride?
The IUPAC name of 2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride (CID 169462001) is 2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride?
The canonical SMILES for 2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride is [N-]=[N+]=NCC=Cc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride?
The InChIKey is USVVSLRYADGPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2S/c10-16(14,15)9-6-2-1-4-8(9)5-3-7-12-13-11/h1-6H,7H2.
What are the key properties of 2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride?
2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride has a molecular weight of 241.25 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride is sourced from PubChem (CID 169462001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).