5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride

C11H9Cl2FN2O2S — CID 82918734

IUPAC5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride
SMILESCc1cc(F)ccc1-n1nc(C)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C11H9Cl2FN2O2S/c1-6-5-8(14)3-4-9(6)16-11(12)10(7(2)15-16)19(13,17)18/h3-5H,1-2H3
InChIKeyNKEIUEABSOGROS-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.21
Rot. Bonds2

About 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride

5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride (PubChem CID 82918734) has the molecular formula C11H9Cl2FN2O2S and a molecular weight of 323.18 g/mol. Its IUPAC name is 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride
PubChem CID82918734
Molecular FormulaC11H9Cl2FN2O2S
Molecular Weight323.18 g/mol
Exact Mass321.97
IUPAC Name5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride
SMILESCc1cc(F)ccc1-n1nc(C)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C11H9Cl2FN2O2S/c1-6-5-8(14)3-4-9(6)16-11(12)10(7(2)15-16)19(13,17)18/h3-5H,1-2H3
InChIKeyNKEIUEABSOGROS-UHFFFAOYSA-N
XLogP3.21
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
CID 9865808
4-[5-(4-Chloro-phenyl)-3-difluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9800211
4-[5-(2-Chloro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10222707
4-(4-Chloro-3-methyl-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 10497881
3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride
CID 12263075
4-[5-(4-Chlorophenyl)-3-methyl-1H-pyrazol-1-yl]benzenesulfonamide
CID 17780111
5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride
CID 79016469
1H-Pyrazole, 3-chloro-5-(4-(methylsulfonyl)phenyl)-1-phenyl-
CID 9840588
5-chloro-N-(2,4-dimethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 2805606
4-[3-(4-Chlorophenyl)-5-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide
CID 10763602
5-chloro-3-ethyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride
CID 82918785
5-chloro-3-ethyl-1-(2-fluorophenyl)-1H-pyrazole-4-sulfonyl chloride
CID 82918788

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride (CID 82918734) is 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride is Cc1cc(F)ccc1-n1nc(C)c(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride?
The InChIKey is NKEIUEABSOGROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2O2S/c1-6-5-8(14)3-4-9(6)16-11(12)10(7(2)15-16)19(13,17)18/h3-5H,1-2H3.
What are the key properties of 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride?
5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride has a molecular weight of 323.18 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82918734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).