1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole

C12H13FN2O2S — CID 39730131

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(F)c(C)c2)n1
InChIInChI=1S/C12H13FN2O2S/c1-8-6-11(4-5-12(8)13)18(16,17)15-10(3)7-9(2)14-15/h4-7H,1-3H3
InChIKeyHKMTVZASVJKQNZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.18
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole

1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 39730131) has the molecular formula C12H13FN2O2S and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID39730131
Molecular FormulaC12H13FN2O2S
Molecular Weight268.31 g/mol
Exact Mass268.07
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(F)c(C)c2)n1
InChIInChI=1S/C12H13FN2O2S/c1-8-6-11(4-5-12(8)13)18(16,17)15-10(3)7-9(2)14-15/h4-7H,1-3H3
InChIKeyHKMTVZASVJKQNZ-UHFFFAOYSA-N
XLogP2.18
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 738644
1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole
CID 3655474
1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 871651
3,5-dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole
CID 6459197
3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine
CID 20873632
1-(4-fluoro-3-methylphenyl)sulfonyl-2-methylimidazole
CID 16805051
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
1-(2-bromo-5-chlorophenyl)sulfonyl-3,5-dimethylpyrazole
CID 21204019
1-(5-bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 762298
3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine
CID 20873573
1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 3647844
5,11-bis[(4-fluoro-3-methylphenyl)sulfonyl]benzo[c][1,5]benzodiazocine-6,12-dione
CID 2353856

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole (CID 39730131) is 1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole is Cc1cc(C)n(S(=O)(=O)c2ccc(F)c(C)c2)n1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is HKMTVZASVJKQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S/c1-8-6-11(4-5-12(8)13)18(16,17)15-10(3)7-9(2)14-15/h4-7H,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 268.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 39730131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).