4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide

C10H11FN4O2S — CID 170485921

IUPAC4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide
SMILES[N-]=[N+]=NCCC=Cc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H11FN4O2S/c11-10-7-9(18(13,16)17)5-4-8(10)3-1-2-6-14-15-12/h1,3-5,7H,2,6H2,(H2,13,16,17)
InChIKeyBUNLREBDQJFARZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.19
Rot. Bonds5

About 4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide

4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide (PubChem CID 170485921) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide
PubChem CID170485921
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide
SMILES[N-]=[N+]=NCCC=Cc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H11FN4O2S/c11-10-7-9(18(13,16)17)5-4-8(10)3-1-2-6-14-15-12/h1,3-5,7H,2,6H2,(H2,13,16,17)
InChIKeyBUNLREBDQJFARZ-UHFFFAOYSA-N
XLogP2.19
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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'}

Analyze 4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-[4-(2-fluoro-4-sulfamoylphenyl)but-3-enyl] ethanethioate
CID 170480774
4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde
CID 170485168
methyl 4-(2-fluoro-4-sulfamoylphenyl)but-3-enoate
CID 170501540
2-[2-(4-azidobut-1-enyl)-5-fluorophenyl]acetic acid
CID 170485784
2-(4-azidobut-1-enyl)-5-methylbenzaldehyde
CID 170485179
3-(4-azidobut-1-enyl)-2-fluorophenol
CID 170484869
4-(4-azidobut-1-enyl)-2-fluoroaniline
CID 170484952
1-(4-azidobut-1-enyl)-4-chloro-2-(trifluoromethyl)benzene
CID 170485757
2-(4-azidobut-1-enyl)-5-chlorobenzoic acid
CID 170485519
4-(4-azidobut-1-enyl)-2-hydroxybenzaldehyde
CID 170485123
2-(4-azidobut-1-enyl)-5-nitrobenzonitrile
CID 170485878
4-(4-azidobut-1-enyl)-3-nitrobenzaldehyde
CID 170485947

Frequently Asked Questions

What is the IUPAC name of 4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide (CID 170485921) is 4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide is [N-]=[N+]=NCCC=Cc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide?
The InChIKey is BUNLREBDQJFARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c11-10-7-9(18(13,16)17)5-4-8(10)3-1-2-6-14-15-12/h1,3-5,7H,2,6H2,(H2,13,16,17).
What are the key properties of 4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide?
4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide has a molecular weight of 270.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 170485921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).