1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole

C17H15FN2O2S2 — CID 1184194

IUPAC1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccccc1
InChIInChI=1S/C17H15FN2O2S2/c1-12-17(23-15-6-4-3-5-7-15)13(2)20(19-12)24(21,22)16-10-8-14(18)9-11-16/h3-11H,1-2H3
InChIKeyYSSWPIASPALTOE-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole

1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole (PubChem CID 1184194) has the molecular formula C17H15FN2O2S2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole
PubChem CID1184194
Molecular FormulaC17H15FN2O2S2
Molecular Weight362.45 g/mol
Exact Mass362.06
IUPAC Name1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccccc1
InChIInChI=1S/C17H15FN2O2S2/c1-12-17(23-15-6-4-3-5-7-15)13(2)20(19-12)24(21,22)16-10-8-14(18)9-11-16/h3-11H,1-2H3
InChIKeyYSSWPIASPALTOE-UHFFFAOYSA-N
XLogP4.03
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole (CID 1184194) is 1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole is Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole?
The InChIKey is YSSWPIASPALTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S2/c1-12-17(23-15-6-4-3-5-7-15)13(2)20(19-12)24(21,22)16-10-8-14(18)9-11-16/h3-11H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole?
1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole has a molecular weight of 362.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole is sourced from PubChem (CID 1184194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).