1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride

C7H9FN2O3S — CID 154832131

IUPAC1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride
SMILESO=S(=O)(F)c1cnn(C2CCOC2)c1
InChIInChI=1S/C7H9FN2O3S/c8-14(11,12)7-3-9-10(4-7)6-1-2-13-5-6/h3-4,6H,1-2,5H2
InChIKeyCQKDETLRISOMJZ-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.50
Rot. Bonds2

About 1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride

1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride (PubChem CID 154832131) has the molecular formula C7H9FN2O3S and a molecular weight of 220.22 g/mol. Its IUPAC name is 1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride.

Molecular Properties

Compound Name1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride
PubChem CID154832131
Molecular FormulaC7H9FN2O3S
Molecular Weight220.22 g/mol
Exact Mass220.03
IUPAC Name1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride
SMILESO=S(=O)(F)c1cnn(C2CCOC2)c1
InChIInChI=1S/C7H9FN2O3S/c8-14(11,12)7-3-9-10(4-7)6-1-2-13-5-6/h3-4,6H,1-2,5H2
InChIKeyCQKDETLRISOMJZ-UHFFFAOYSA-N
XLogP0.50
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-3-yl)-1H-pyrazole-4-sulfonyl chloride
CID 63564006
1-(oxan-4-yl)-1H-pyrazole-4-sulfonyl chloride
CID 63936713
1-(2-methoxyethyl)-1H-pyrazole-4-sulfonyl chloride
CID 60912505
1-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide
CID 81339897
1-(Oxolan-3-yl)-1H-pyrazole-5-sulfonyl chloride
CID 84736622
4-(1-Ethylpyrazol-4-yl)sulfonylmorpholine
CID 6466654
methyl 2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]sulfonyl-propylamino]acetate
CID 97098691
1-[(2S)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonyl chloride
CID 155193539
1-(1-Fluoro-3-hydroxypropan-2-yl)pyrazole-4-sulfonyl chloride
CID 155193540
1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyrazole-4-sulfonyl chloride
CID 61490303
1-[3-(2,2,2-Trifluoroethoxy)propyl]pyrazole-4-sulfonyl chloride
CID 61491774
1-[2-(Trifluoromethoxy)ethyl]pyrazole-4-sulfonyl chloride
CID 65804141

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride?
The IUPAC name of 1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride (CID 154832131) is 1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride.
What is the SMILES notation for 1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride?
The canonical SMILES for 1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride is O=S(=O)(F)c1cnn(C2CCOC2)c1.
What is the InChIKey of 1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride?
The InChIKey is CQKDETLRISOMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3S/c8-14(11,12)7-3-9-10(4-7)6-1-2-13-5-6/h3-4,6H,1-2,5H2.
What are the key properties of 1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride?
1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride has a molecular weight of 220.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride is sourced from PubChem (CID 154832131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).