1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride

C11H9ClF2N2O2S — CID 43531744

IUPAC1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C11H9ClF2N2O2S/c1-6-11(19(12,17)18)7(2)16(15-6)10-4-3-8(13)5-9(10)14/h3-5H,1-2H3
InChIKeyMIUUZUPTFNJBGI-UHFFFAOYSA-N
MW306.72 g/mol
LogP2.69
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride

1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride (PubChem CID 43531744) has the molecular formula C11H9ClF2N2O2S and a molecular weight of 306.72 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
PubChem CID43531744
Molecular FormulaC11H9ClF2N2O2S
Molecular Weight306.72 g/mol
Exact Mass306.00
IUPAC Name1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C11H9ClF2N2O2S/c1-6-11(19(12,17)18)7(2)16(15-6)10-4-3-8(13)5-9(10)14/h3-5H,1-2H3
InChIKeyMIUUZUPTFNJBGI-UHFFFAOYSA-N
XLogP2.69
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride
CID 82918734
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride
CID 82918237
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine
CID 154741660
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86942729
5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride
CID 82918805
(2-chloro-4-pyridinyl)methyl 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxylate
CID 86877082
1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55639239
1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine
CID 42692484
2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propanoic acid
CID 122036899
cyclopropyl-[4-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55639056
3,5-dibromo-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde
CID 87406497

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride (CID 43531744) is 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride is Cc1nn(-c2ccc(F)cc2F)c(C)c1S(=O)(=O)Cl.
What is the InChIKey of 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The InChIKey is MIUUZUPTFNJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2O2S/c1-6-11(19(12,17)18)7(2)16(15-6)10-4-3-8(13)5-9(10)14/h3-5H,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride has a molecular weight of 306.72 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 43531744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).