5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride

C13H17ClFNO3S — CID 82910013

IUPAC5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1OCCN1CCCCC1
InChIInChI=1S/C13H17ClFNO3S/c14-20(17,18)13-10-11(15)4-5-12(13)19-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2
InChIKeyABLZCXPVIJMQKY-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.62
Rot. Bonds5

About 5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride

5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride (PubChem CID 82910013) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is 5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride
PubChem CID82910013
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1OCCN1CCCCC1
InChIInChI=1S/C13H17ClFNO3S/c14-20(17,18)13-10-11(15)4-5-12(13)19-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2
InChIKeyABLZCXPVIJMQKY-UHFFFAOYSA-N
XLogP2.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride (CID 82910013) is 5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)ccc1OCCN1CCCCC1.
What is the InChIKey of 5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride?
The InChIKey is ABLZCXPVIJMQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c14-20(17,18)13-10-11(15)4-5-12(13)19-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2.
What are the key properties of 5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride?
5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride has a molecular weight of 321.80 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-piperidin-1-ylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82910013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).