2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride

C7H9ClN2O3S — CID 84798325

IUPAC2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride
SMILESCOc1cnc(CCS(=O)(=O)Cl)nc1
InChIInChI=1S/C7H9ClN2O3S/c1-13-6-4-9-7(10-5-6)2-3-14(8,11)12/h4-5H,2-3H2,1H3
InChIKeyDGRYPHGXBQYLSD-UHFFFAOYSA-N
MW236.68 g/mol
LogP0.60
Rot. Bonds4

About 2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride

2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride (PubChem CID 84798325) has the molecular formula C7H9ClN2O3S and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride
PubChem CID84798325
Molecular FormulaC7H9ClN2O3S
Molecular Weight236.68 g/mol
Exact Mass236.00
IUPAC Name2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride
SMILESCOc1cnc(CCS(=O)(=O)Cl)nc1
InChIInChI=1S/C7H9ClN2O3S/c1-13-6-4-9-7(10-5-6)2-3-14(8,11)12/h4-5H,2-3H2,1H3
InChIKeyDGRYPHGXBQYLSD-UHFFFAOYSA-N
XLogP0.60
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride (CID 84798325) is 2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride is COc1cnc(CCS(=O)(=O)Cl)nc1.
What is the InChIKey of 2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride?
The InChIKey is DGRYPHGXBQYLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3S/c1-13-6-4-9-7(10-5-6)2-3-14(8,11)12/h4-5H,2-3H2,1H3.
What are the key properties of 2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride?
2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride has a molecular weight of 236.68 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxypyrimidin-2-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84798325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).