1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole

C11H11FN2O2S — CID 683290

IUPAC1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H11FN2O2S/c1-8-7-9(2)14(13-8)17(15,16)11-5-3-10(12)4-6-11/h3-7H,1-2H3
InChIKeyKYWSTGXTYOIHRM-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.88
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole

1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 683290) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID683290
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H11FN2O2S/c1-8-7-9(2)14(13-8)17(15,16)11-5-3-10(12)4-6-11/h3-7H,1-2H3
InChIKeyKYWSTGXTYOIHRM-UHFFFAOYSA-N
XLogP1.88
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 261702
1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 791827
3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpyrazole
CID 802372
(E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole
CID 5389252
3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole
CID 747361
1-(4-tert-butylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 891839
1-Benzylsulfonyl-3,5-dimethylpyrazole
CID 658313
3,5-Dimethyl-1-(phenylsulfonyl)-1H-pyrazole
CID 757430
1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole
CID 5324098
1-{[1-(4-Fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-YL]sulfonyl}azepane
CID 16029701
1-{[1-(4-fluorobenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}piperidine
CID 16029703
3-Tert-butyl-1-(2,4-difluorophenyl)sulfonyl-5-methylsulfanylpyrazole
CID 2805902

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole (CID 683290) is 1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole is Cc1cc(C)n(S(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is KYWSTGXTYOIHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-8-7-9(2)14(13-8)17(15,16)11-5-3-10(12)4-6-11/h3-7H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole?
1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 254.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 683290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).