5-methyl-1H-pyrazole-4-sulfonyl fluoride

C4H5FN2O2S — CID 154578265

IUPAC5-methyl-1H-pyrazole-4-sulfonyl fluoride
SMILESCc1[nH]ncc1S(=O)(=O)F
InChIInChI=1S/C4H5FN2O2S/c1-3-4(2-6-7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKeyNSMXDIWSBVMGNH-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.38
Rot. Bonds1

About 5-methyl-1H-pyrazole-4-sulfonyl fluoride

5-methyl-1H-pyrazole-4-sulfonyl fluoride (PubChem CID 154578265) has the molecular formula C4H5FN2O2S and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-methyl-1H-pyrazole-4-sulfonyl fluoride.

Molecular Properties

Compound Name5-methyl-1H-pyrazole-4-sulfonyl fluoride
PubChem CID154578265
Molecular FormulaC4H5FN2O2S
Molecular Weight164.16 g/mol
Exact Mass164.01
IUPAC Name5-methyl-1H-pyrazole-4-sulfonyl fluoride
SMILESCc1[nH]ncc1S(=O)(=O)F
InChIInChI=1S/C4H5FN2O2S/c1-3-4(2-6-7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKeyNSMXDIWSBVMGNH-UHFFFAOYSA-N
XLogP0.38
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrazole-4-sulfonyl fluoride?
The IUPAC name of 5-methyl-1H-pyrazole-4-sulfonyl fluoride (CID 154578265) is 5-methyl-1H-pyrazole-4-sulfonyl fluoride.
What is the SMILES notation for 5-methyl-1H-pyrazole-4-sulfonyl fluoride?
The canonical SMILES for 5-methyl-1H-pyrazole-4-sulfonyl fluoride is Cc1[nH]ncc1S(=O)(=O)F.
What is the InChIKey of 5-methyl-1H-pyrazole-4-sulfonyl fluoride?
The InChIKey is NSMXDIWSBVMGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O2S/c1-3-4(2-6-7-3)10(5,8)9/h2H,1H3,(H,6,7).
What are the key properties of 5-methyl-1H-pyrazole-4-sulfonyl fluoride?
5-methyl-1H-pyrazole-4-sulfonyl fluoride has a molecular weight of 164.16 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazole-4-sulfonyl fluoride is sourced from PubChem (CID 154578265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).