2-chloropyrimidine-5-sulfonyl chloride

C4H2Cl2N2O2S — CID 43244366

IUPAC2-chloropyrimidine-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(Cl)nc1
InChIInChI=1S/C4H2Cl2N2O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H
InChIKeyDMAOAJYJIATWJS-UHFFFAOYSA-N
MW213.05 g/mol
LogP1.06
Rot. Bonds1

About 2-chloropyrimidine-5-sulfonyl chloride

2-chloropyrimidine-5-sulfonyl chloride (PubChem CID 43244366) has the molecular formula C4H2Cl2N2O2S and a molecular weight of 213.05 g/mol. Its IUPAC name is 2-chloropyrimidine-5-sulfonyl chloride.

Molecular Properties

Compound Name2-chloropyrimidine-5-sulfonyl chloride
PubChem CID43244366
Molecular FormulaC4H2Cl2N2O2S
Molecular Weight213.05 g/mol
Exact Mass211.92
IUPAC Name2-chloropyrimidine-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(Cl)nc1
InChIInChI=1S/C4H2Cl2N2O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H
InChIKeyDMAOAJYJIATWJS-UHFFFAOYSA-N
XLogP1.06
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.05
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyrimidine-5-sulfonyl chloride?
The IUPAC name of 2-chloropyrimidine-5-sulfonyl chloride (CID 43244366) is 2-chloropyrimidine-5-sulfonyl chloride.
What is the SMILES notation for 2-chloropyrimidine-5-sulfonyl chloride?
The canonical SMILES for 2-chloropyrimidine-5-sulfonyl chloride is O=S(=O)(Cl)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloropyrimidine-5-sulfonyl chloride?
The InChIKey is DMAOAJYJIATWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2N2O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H.
What are the key properties of 2-chloropyrimidine-5-sulfonyl chloride?
2-chloropyrimidine-5-sulfonyl chloride has a molecular weight of 213.05 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyrimidine-5-sulfonyl chloride is sourced from PubChem (CID 43244366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).