5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride

C11H8ClFN2O3S — CID 82910104

IUPAC5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1OCc1ncccn1
InChIInChI=1S/C11H8ClFN2O3S/c12-19(16,17)10-6-8(13)2-3-9(10)18-7-11-14-4-1-5-15-11/h1-6H,7H2
InChIKeyUKWQGGNKZMMMDS-UHFFFAOYSA-N
MW302.71 g/mol
LogP2.12
Rot. Bonds4

About 5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride

5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride (PubChem CID 82910104) has the molecular formula C11H8ClFN2O3S and a molecular weight of 302.71 g/mol. Its IUPAC name is 5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
PubChem CID82910104
Molecular FormulaC11H8ClFN2O3S
Molecular Weight302.71 g/mol
Exact Mass301.99
IUPAC Name5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)ccc1OCc1ncccn1
InChIInChI=1S/C11H8ClFN2O3S/c12-19(16,17)10-6-8(13)2-3-9(10)18-7-11-14-4-1-5-15-11/h1-6H,7H2
InChIKeyUKWQGGNKZMMMDS-UHFFFAOYSA-N
XLogP2.12
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82909517
5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82910183
2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 62104790
5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82921328
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 103037941
5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 78986424
2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 82911140
5-fluoro-2-pentoxybenzenesulfonyl chloride
CID 62104235
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-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 62103692

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride (CID 82910104) is 5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)ccc1OCc1ncccn1.
What is the InChIKey of 5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
The InChIKey is UKWQGGNKZMMMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3S/c12-19(16,17)10-6-8(13)2-3-9(10)18-7-11-14-4-1-5-15-11/h1-6H,7H2.
What are the key properties of 5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride has a molecular weight of 302.71 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82910104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).