5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride

C13H11ClFNO3S — CID 82909517

IUPAC5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1OCCc1ccccn1
InChIInChI=1S/C13H11ClFNO3S/c14-20(17,18)13-9-10(15)4-5-12(13)19-8-6-11-3-1-2-7-16-11/h1-5,7,9H,6,8H2
InChIKeyIVEIBOHDFFGIOF-UHFFFAOYSA-N
MW315.75 g/mol
LogP2.77
Rot. Bonds5

About 5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride

5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride (PubChem CID 82909517) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is 5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
PubChem CID82909517
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC Name5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1OCCc1ccccn1
InChIInChI=1S/C13H11ClFNO3S/c14-20(17,18)13-9-10(15)4-5-12(13)19-8-6-11-3-1-2-7-16-11/h1-5,7,9H,6,8H2
InChIKeyIVEIBOHDFFGIOF-UHFFFAOYSA-N
XLogP2.77
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911549
5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82910104
2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912749
5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82914800
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912390
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
5-fluoro-2-pentoxybenzenesulfonyl chloride
CID 62104235
5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82910183
2-(3-ethylsulfonylpropoxy)-5-fluorobenzenesulfonyl chloride
CID 65094135
5-fluoro-2-(4,4,4-trifluorobutoxy)benzenesulfonyl chloride
CID 113326287
5-fluoro-2-pent-4-enoxybenzenesulfonyl chloride
CID 82910510
5-fluoro-2-(3-methoxy-3-methylbutoxy)benzenesulfonyl chloride
CID 103020699

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride (CID 82909517) is 5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)ccc1OCCc1ccccn1.
What is the InChIKey of 5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The InChIKey is IVEIBOHDFFGIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c14-20(17,18)13-9-10(15)4-5-12(13)19-8-6-11-3-1-2-7-16-11/h1-5,7,9H,6,8H2.
What are the key properties of 5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride has a molecular weight of 315.75 g/mol, XLogP of 2.77, 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-pyridin-2-ylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82909517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).