3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole

C14H13FN2O2S2 — CID 4548683

IUPAC3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole
SMILESCS(=O)(=O)N1NC(c2cccs2)=CC1c1ccccc1F
InChIInChI=1S/C14H13FN2O2S2/c1-21(18,19)17-13(10-5-2-3-6-11(10)15)9-12(16-17)14-7-4-8-20-14/h2-9,13,16H,1H3
InChIKeyIDSWALAYDYXFII-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.75
Rot. Bonds3

About 3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole

3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole (PubChem CID 4548683) has the molecular formula C14H13FN2O2S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole
PubChem CID4548683
Molecular FormulaC14H13FN2O2S2
Molecular Weight324.40 g/mol
Exact Mass324.04
IUPAC Name3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole
SMILESCS(=O)(=O)N1NC(c2cccs2)=CC1c1ccccc1F
InChIInChI=1S/C14H13FN2O2S2/c1-21(18,19)17-13(10-5-2-3-6-11(10)15)9-12(16-17)14-7-4-8-20-14/h2-9,13,16H,1H3
InChIKeyIDSWALAYDYXFII-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole?
The IUPAC name of 3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole (CID 4548683) is 3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole?
The canonical SMILES for 3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole is CS(=O)(=O)N1NC(c2cccs2)=CC1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole?
The InChIKey is IDSWALAYDYXFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S2/c1-21(18,19)17-13(10-5-2-3-6-11(10)15)9-12(16-17)14-7-4-8-20-14/h2-9,13,16H,1H3.
What are the key properties of 3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole?
3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole has a molecular weight of 324.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-1,3-dihydropyrazole is sourced from PubChem (CID 4548683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).