1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole

C11H11FN2O3S — CID 6499731

IUPAC1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole
SMILESCCOc1cc(S(=O)(=O)n2cccn2)ccc1F
InChIInChI=1S/C11H11FN2O3S/c1-2-17-11-8-9(4-5-10(11)12)18(15,16)14-7-3-6-13-14/h3-8H,2H2,1H3
InChIKeyJOUSTRVFBUELCH-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.66
Rot. Bonds4

About 1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole

1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole (PubChem CID 6499731) has the molecular formula C11H11FN2O3S and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole
PubChem CID6499731
Molecular FormulaC11H11FN2O3S
Molecular Weight270.29 g/mol
Exact Mass270.05
IUPAC Name1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole
SMILESCCOc1cc(S(=O)(=O)n2cccn2)ccc1F
InChIInChI=1S/C11H11FN2O3S/c1-2-17-11-8-9(4-5-10(11)12)18(15,16)14-7-3-6-13-14/h3-8H,2H2,1H3
InChIKeyJOUSTRVFBUELCH-UHFFFAOYSA-N
XLogP1.66
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-Dimethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085562
5-(1-phenoxyethyl)-1-(phenylsulfonyl)-1H-pyrazole
CID 3799501
1-(2,5-Dimethoxyphenyl)sulfonylpyrazole
CID 646938
1-(4-Ethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085564
4-[(3,5-Dimethylpyrazolyl)sulfonyl]-2-ethoxy-1-fluorobenzene
CID 935529
1-(4-Bromo-3-ethoxyphenyl)sulfonyl-3-methylpyrazole
CID 2237824
1-(3-Ethoxy-4-fluorophenyl)sulfonyl-3-methylpyrazole
CID 2147934
N-[2-(4-fluorophenoxy)ethyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 45822310
N,1-dimethyl-N-(3-phenoxypropyl)pyrazole-4-sulfonamide
CID 45822470
N-[3-(4-fluorophenoxy)propyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 45825514
1-(3,4-Dimethoxyphenyl)sulfonylpyrazole
CID 778403
1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazole
CID 844644

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole?
The IUPAC name of 1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole (CID 6499731) is 1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole?
The canonical SMILES for 1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole is CCOc1cc(S(=O)(=O)n2cccn2)ccc1F.
What is the InChIKey of 1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole?
The InChIKey is JOUSTRVFBUELCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S/c1-2-17-11-8-9(4-5-10(11)12)18(15,16)14-7-3-6-13-14/h3-8H,2H2,1H3.
What are the key properties of 1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole?
1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole has a molecular weight of 270.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-fluorophenyl)sulfonylpyrazole is sourced from PubChem (CID 6499731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).