5-fluoro-2-pentoxybenzenesulfonyl chloride

C11H14ClFO3S — CID 62104235

IUPAC5-fluoro-2-pentoxybenzenesulfonyl chloride
SMILESCCCCCOc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClFO3S/c1-2-3-4-7-16-10-6-5-9(13)8-11(10)17(12,14)15/h5-6,8H,2-4,7H2,1H3
InChIKeyOKIOQPLPWLMHPU-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.32
Rot. Bonds6

About 5-fluoro-2-pentoxybenzenesulfonyl chloride

5-fluoro-2-pentoxybenzenesulfonyl chloride (PubChem CID 62104235) has the molecular formula C11H14ClFO3S and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-fluoro-2-pentoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-pentoxybenzenesulfonyl chloride
PubChem CID62104235
Molecular FormulaC11H14ClFO3S
Molecular Weight280.75 g/mol
Exact Mass280.03
IUPAC Name5-fluoro-2-pentoxybenzenesulfonyl chloride
SMILESCCCCCOc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClFO3S/c1-2-3-4-7-16-10-6-5-9(13)8-11(10)17(12,14)15/h5-6,8H,2-4,7H2,1H3
InChIKeyOKIOQPLPWLMHPU-UHFFFAOYSA-N
XLogP3.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pentoxybenzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-pentoxybenzenesulfonyl chloride (CID 62104235) is 5-fluoro-2-pentoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-pentoxybenzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-pentoxybenzenesulfonyl chloride is CCCCCOc1ccc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-fluoro-2-pentoxybenzenesulfonyl chloride?
The InChIKey is OKIOQPLPWLMHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO3S/c1-2-3-4-7-16-10-6-5-9(13)8-11(10)17(12,14)15/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 5-fluoro-2-pentoxybenzenesulfonyl chloride?
5-fluoro-2-pentoxybenzenesulfonyl chloride has a molecular weight of 280.75 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pentoxybenzenesulfonyl chloride is sourced from PubChem (CID 62104235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).