1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole

C18H13FN2O2S2 — CID 2824206

IUPAC1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole
SMILESCc1c(-c2ccnn2S(=O)(=O)c2ccccc2F)sc2ccccc12
InChIInChI=1S/C18H13FN2O2S2/c1-12-13-6-2-4-8-16(13)24-18(12)15-10-11-20-21(15)25(22,23)17-9-5-3-7-14(17)19/h2-11H,1H3
InChIKeyPANJYOPYPCJTFY-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.45
Rot. Bonds3

About 1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole

1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole (PubChem CID 2824206) has the molecular formula C18H13FN2O2S2 and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole
PubChem CID2824206
Molecular FormulaC18H13FN2O2S2
Molecular Weight372.45 g/mol
Exact Mass372.04
IUPAC Name1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole
SMILESCc1c(-c2ccnn2S(=O)(=O)c2ccccc2F)sc2ccccc12
InChIInChI=1S/C18H13FN2O2S2/c1-12-13-6-2-4-8-16(13)24-18(12)15-10-11-20-21(15)25(22,23)17-9-5-3-7-14(17)19/h2-11H,1H3
InChIKeyPANJYOPYPCJTFY-UHFFFAOYSA-N
XLogP4.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole (CID 2824206) is 1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole is Cc1c(-c2ccnn2S(=O)(=O)c2ccccc2F)sc2ccccc12.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole?
The InChIKey is PANJYOPYPCJTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2S2/c1-12-13-6-2-4-8-16(13)24-18(12)15-10-11-20-21(15)25(22,23)17-9-5-3-7-14(17)19/h2-11H,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole?
1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole has a molecular weight of 372.45 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-5-(3-methyl-1-benzothiophen-2-yl)pyrazole is sourced from PubChem (CID 2824206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).