5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride

C11H12ClFO3S — CID 165460566

IUPAC5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cc(Cl)ccc1OCCC1CC1
InChIInChI=1S/C11H12ClFO3S/c12-9-3-4-10(11(7-9)17(13,14)15)16-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2
InChIKeyAKZDSMNEKXIXTL-UHFFFAOYSA-N
MW278.73 g/mol
LogP3.18
Rot. Bonds5

About 5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride

5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride (PubChem CID 165460566) has the molecular formula C11H12ClFO3S and a molecular weight of 278.73 g/mol. Its IUPAC name is 5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride.

Molecular Properties

Compound Name5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride
PubChem CID165460566
Molecular FormulaC11H12ClFO3S
Molecular Weight278.73 g/mol
Exact Mass278.02
IUPAC Name5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cc(Cl)ccc1OCCC1CC1
InChIInChI=1S/C11H12ClFO3S/c12-9-3-4-10(11(7-9)17(13,14)15)16-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2
InChIKeyAKZDSMNEKXIXTL-UHFFFAOYSA-N
XLogP3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride?
The IUPAC name of 5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride (CID 165460566) is 5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride.
What is the SMILES notation for 5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride?
The canonical SMILES for 5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride is O=S(=O)(F)c1cc(Cl)ccc1OCCC1CC1.
What is the InChIKey of 5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride?
The InChIKey is AKZDSMNEKXIXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO3S/c12-9-3-4-10(11(7-9)17(13,14)15)16-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride?
5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride has a molecular weight of 278.73 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride is sourced from PubChem (CID 165460566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).