2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride

C6H6Cl2N2O4S2 — CID 105370366

IUPAC2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCS(=O)(=O)c1ncncc1Cl
InChIInChI=1S/C6H6Cl2N2O4S2/c7-5-3-9-4-10-6(5)15(11,12)1-2-16(8,13)14/h3-4H,1-2H2
InChIKeyCPNRGQZXXCPMBS-UHFFFAOYSA-N
MW305.16 g/mol
LogP0.47
Rot. Bonds4

About 2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride

2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride (PubChem CID 105370366) has the molecular formula C6H6Cl2N2O4S2 and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride.

Molecular Properties

Compound Name2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride
PubChem CID105370366
Molecular FormulaC6H6Cl2N2O4S2
Molecular Weight305.16 g/mol
Exact Mass303.91
IUPAC Name2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCS(=O)(=O)c1ncncc1Cl
InChIInChI=1S/C6H6Cl2N2O4S2/c7-5-3-9-4-10-6(5)15(11,12)1-2-16(8,13)14/h3-4H,1-2H2
InChIKeyCPNRGQZXXCPMBS-UHFFFAOYSA-N
XLogP0.47
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride?
The IUPAC name of 2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride (CID 105370366) is 2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride.
What is the SMILES notation for 2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride?
The canonical SMILES for 2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride is O=S(=O)(Cl)CCS(=O)(=O)c1ncncc1Cl.
What is the InChIKey of 2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride?
The InChIKey is CPNRGQZXXCPMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O4S2/c7-5-3-9-4-10-6(5)15(11,12)1-2-16(8,13)14/h3-4H,1-2H2.
What are the key properties of 2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride?
2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride has a molecular weight of 305.16 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride is sourced from PubChem (CID 105370366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).