3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride

C11H7Br2ClN2O3S — CID 82910807

IUPAC3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)c(OCc2ncccn2)c(Br)c1
InChIInChI=1S/C11H7Br2ClN2O3S/c12-8-4-7(20(14,17)18)5-9(13)11(8)19-6-10-15-2-1-3-16-10/h1-5H,6H2
InChIKeyPAOUXJSALGNGMK-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.51
Rot. Bonds4

About 3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride

3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride (PubChem CID 82910807) has the molecular formula C11H7Br2ClN2O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
PubChem CID82910807
Molecular FormulaC11H7Br2ClN2O3S
Molecular Weight442.52 g/mol
Exact Mass439.82
IUPAC Name3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)c(OCc2ncccn2)c(Br)c1
InChIInChI=1S/C11H7Br2ClN2O3S/c12-8-4-7(20(14,17)18)5-9(13)11(8)19-6-10-15-2-1-3-16-10/h1-5H,6H2
InChIKeyPAOUXJSALGNGMK-UHFFFAOYSA-N
XLogP3.51
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82910110
3,5-dibromo-4-ethoxybenzenesulfonyl chloride
CID 43134474
3,5-dibromo-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 61057682
4-[(2-bromophenyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 81264837
3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride
CID 82909661
5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82921328
3,5-dibromo-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonyl chloride
CID 115942390
2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82911702
3,5-dibromo-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride
CID 62127238
3,5-dibromo-4-(3-ethoxypropoxy)benzenesulfonyl chloride
CID 65176689
3-bromo-5-methoxy-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62700117
3,5-dibromo-4-(3-methoxy-3-methylbutoxy)benzenesulfonyl chloride
CID 103020676

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride (CID 82910807) is 3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Br)c(OCc2ncccn2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
The InChIKey is PAOUXJSALGNGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClN2O3S/c12-8-4-7(20(14,17)18)5-9(13)11(8)19-6-10-15-2-1-3-16-10/h1-5H,6H2.
What are the key properties of 3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride has a molecular weight of 442.52 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82910807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).