4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride

C11H12ClFO3S — CID 130246374

IUPAC4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride
SMILESCOC1CC(F)(c2ccc(S(=O)(=O)Cl)cc2)C1
InChIInChI=1S/C11H12ClFO3S/c1-16-9-6-11(13,7-9)8-2-4-10(5-3-8)17(12,14)15/h2-5,9H,6-7H2,1H3
InChIKeyYSCZPYCFPHLDSB-UHFFFAOYSA-N
MW278.73 g/mol
LogP2.59
Rot. Bonds3

About 4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride

4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride (PubChem CID 130246374) has the molecular formula C11H12ClFO3S and a molecular weight of 278.73 g/mol. Its IUPAC name is 4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride
PubChem CID130246374
Molecular FormulaC11H12ClFO3S
Molecular Weight278.73 g/mol
Exact Mass278.02
IUPAC Name4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride
SMILESCOC1CC(F)(c2ccc(S(=O)(=O)Cl)cc2)C1
InChIInChI=1S/C11H12ClFO3S/c1-16-9-6-11(13,7-9)8-2-4-10(5-3-8)17(12,14)15/h2-5,9H,6-7H2,1H3
InChIKeyYSCZPYCFPHLDSB-UHFFFAOYSA-N
XLogP2.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride?
The IUPAC name of 4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride (CID 130246374) is 4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride is COC1CC(F)(c2ccc(S(=O)(=O)Cl)cc2)C1.
What is the InChIKey of 4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride?
The InChIKey is YSCZPYCFPHLDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO3S/c1-16-9-6-11(13,7-9)8-2-4-10(5-3-8)17(12,14)15/h2-5,9H,6-7H2,1H3.
What are the key properties of 4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride?
4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride has a molecular weight of 278.73 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-3-methoxycyclobutyl)benzenesulfonyl chloride is sourced from PubChem (CID 130246374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).