1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole

C11H11FN2O3S — CID 2147935

IUPAC1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole
SMILESCOc1cc(S(=O)(=O)n2ccc(C)n2)ccc1F
InChIInChI=1S/C11H11FN2O3S/c1-8-5-6-14(13-8)18(15,16)9-3-4-10(12)11(7-9)17-2/h3-7H,1-2H3
InChIKeyIIHKDKLSDAASOV-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.58
Rot. Bonds3

About 1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole

1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole (PubChem CID 2147935) has the molecular formula C11H11FN2O3S and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole
PubChem CID2147935
Molecular FormulaC11H11FN2O3S
Molecular Weight270.29 g/mol
Exact Mass270.05
IUPAC Name1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole
SMILESCOc1cc(S(=O)(=O)n2ccc(C)n2)ccc1F
InChIInChI=1S/C11H11FN2O3S/c1-8-5-6-14(13-8)18(15,16)9-3-4-10(12)11(7-9)17-2/h3-7H,1-2H3
InChIKeyIIHKDKLSDAASOV-UHFFFAOYSA-N
XLogP1.58
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Fluoro-2-methoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 977005
1-(2,5-Dimethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085562
1-((4-chloro-3-methoxyphenyl)sulfonyl)-3-methyl-1H-pyrazole
CID 1583573
1-(3,4-Dimethoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 769966
1-(2,5-Dimethoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 685835
1-(4-Methoxy-3-methyl-benzenesulfonyl)-3-methyl-1H-pyrazole
CID 1085563
1-[(2-ethoxy-5-methylphenyl)sulfonyl]-3-methyl-1H-pyrazole
CID 2235686
5-(1-phenoxyethyl)-1-(phenylsulfonyl)-1H-pyrazole
CID 3799501
1-(4-Ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 847006
1-(2,5-Dimethoxyphenyl)sulfonylpyrazole
CID 646938
1-(4-Ethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085564
1-(methylsulfonyl)-5-(1-phenoxyethyl)-1H-pyrazole
CID 2764679

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole (CID 2147935) is 1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole is COc1cc(S(=O)(=O)n2ccc(C)n2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is IIHKDKLSDAASOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S/c1-8-5-6-14(13-8)18(15,16)9-3-4-10(12)11(7-9)17-2/h3-7H,1-2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole?
1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole has a molecular weight of 270.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 2147935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).