2-chloropyrimidine-4-sulfonyl fluoride

C4H2ClFN2O2S — CID 155819657

IUPAC2-chloropyrimidine-4-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccnc(Cl)n1
InChIInChI=1S/C4H2ClFN2O2S/c5-4-7-2-1-3(8-4)11(6,9)10/h1-2H
InChIKeyALHIDBGKQJWRAE-UHFFFAOYSA-N
MW196.59 g/mol
LogP0.79
Rot. Bonds1

About 2-chloropyrimidine-4-sulfonyl fluoride

2-chloropyrimidine-4-sulfonyl fluoride (PubChem CID 155819657) has the molecular formula C4H2ClFN2O2S and a molecular weight of 196.59 g/mol. Its IUPAC name is 2-chloropyrimidine-4-sulfonyl fluoride.

Molecular Properties

Compound Name2-chloropyrimidine-4-sulfonyl fluoride
PubChem CID155819657
Molecular FormulaC4H2ClFN2O2S
Molecular Weight196.59 g/mol
Exact Mass195.95
IUPAC Name2-chloropyrimidine-4-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccnc(Cl)n1
InChIInChI=1S/C4H2ClFN2O2S/c5-4-7-2-1-3(8-4)11(6,9)10/h1-2H
InChIKeyALHIDBGKQJWRAE-UHFFFAOYSA-N
XLogP0.79
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyrimidine-4-sulfonyl fluoride?
The IUPAC name of 2-chloropyrimidine-4-sulfonyl fluoride (CID 155819657) is 2-chloropyrimidine-4-sulfonyl fluoride.
What is the SMILES notation for 2-chloropyrimidine-4-sulfonyl fluoride?
The canonical SMILES for 2-chloropyrimidine-4-sulfonyl fluoride is O=S(=O)(F)c1ccnc(Cl)n1.
What is the InChIKey of 2-chloropyrimidine-4-sulfonyl fluoride?
The InChIKey is ALHIDBGKQJWRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFN2O2S/c5-4-7-2-1-3(8-4)11(6,9)10/h1-2H.
What are the key properties of 2-chloropyrimidine-4-sulfonyl fluoride?
2-chloropyrimidine-4-sulfonyl fluoride has a molecular weight of 196.59 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyrimidine-4-sulfonyl fluoride is sourced from PubChem (CID 155819657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).