5-methylpyrimidine-2-sulfonyl fluoride

C5H5FN2O2S — CID 53435890

IUPAC5-methylpyrimidine-2-sulfonyl fluoride
SMILESCc1cnc(S(=O)(=O)F)nc1
InChIInChI=1S/C5H5FN2O2S/c1-4-2-7-5(8-3-4)11(6,9)10/h2-3H,1H3
InChIKeyKVOUCHCKPXVILS-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.44
Rot. Bonds1

About 5-methylpyrimidine-2-sulfonyl fluoride

5-methylpyrimidine-2-sulfonyl fluoride (PubChem CID 53435890) has the molecular formula C5H5FN2O2S and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-methylpyrimidine-2-sulfonyl fluoride.

Molecular Properties

Compound Name5-methylpyrimidine-2-sulfonyl fluoride
PubChem CID53435890
Molecular FormulaC5H5FN2O2S
Molecular Weight176.17 g/mol
Exact Mass176.01
IUPAC Name5-methylpyrimidine-2-sulfonyl fluoride
SMILESCc1cnc(S(=O)(=O)F)nc1
InChIInChI=1S/C5H5FN2O2S/c1-4-2-7-5(8-3-4)11(6,9)10/h2-3H,1H3
InChIKeyKVOUCHCKPXVILS-UHFFFAOYSA-N
XLogP0.44
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylpyrimidine-2-sulfonyl fluoride?
The IUPAC name of 5-methylpyrimidine-2-sulfonyl fluoride (CID 53435890) is 5-methylpyrimidine-2-sulfonyl fluoride.
What is the SMILES notation for 5-methylpyrimidine-2-sulfonyl fluoride?
The canonical SMILES for 5-methylpyrimidine-2-sulfonyl fluoride is Cc1cnc(S(=O)(=O)F)nc1.
What is the InChIKey of 5-methylpyrimidine-2-sulfonyl fluoride?
The InChIKey is KVOUCHCKPXVILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2S/c1-4-2-7-5(8-3-4)11(6,9)10/h2-3H,1H3.
What are the key properties of 5-methylpyrimidine-2-sulfonyl fluoride?
5-methylpyrimidine-2-sulfonyl fluoride has a molecular weight of 176.17 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrimidine-2-sulfonyl fluoride is sourced from PubChem (CID 53435890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).