5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride

C11H7BrClFN2O3S — CID 82921328

IUPAC5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)c(OCc2ncccn2)cc1F
InChIInChI=1S/C11H7BrClFN2O3S/c12-7-4-10(20(13,17)18)8(14)5-9(7)19-6-11-15-2-1-3-16-11/h1-5H,6H2
InChIKeyOGMGZKBCDYRVGF-UHFFFAOYSA-N
MW381.61 g/mol
LogP2.88
Rot. Bonds4

About 5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride

5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride (PubChem CID 82921328) has the molecular formula C11H7BrClFN2O3S and a molecular weight of 381.61 g/mol. Its IUPAC name is 5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
PubChem CID82921328
Molecular FormulaC11H7BrClFN2O3S
Molecular Weight381.61 g/mol
Exact Mass379.90
IUPAC Name5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)c(OCc2ncccn2)cc1F
InChIInChI=1S/C11H7BrClFN2O3S/c12-7-4-10(20(13,17)18)8(14)5-9(7)19-6-11-15-2-1-3-16-11/h1-5H,6H2
InChIKeyOGMGZKBCDYRVGF-UHFFFAOYSA-N
XLogP2.88
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.61
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride (CID 82921328) is 5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Br)c(OCc2ncccn2)cc1F.
What is the InChIKey of 5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
The InChIKey is OGMGZKBCDYRVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O3S/c12-7-4-10(20(13,17)18)8(14)5-9(7)19-6-11-15-2-1-3-16-11/h1-5H,6H2.
What are the key properties of 5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride has a molecular weight of 381.61 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82921328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).