4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole

C11H10ClFN2O2S — CID 1225274

IUPAC4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Cl
InChIInChI=1S/C11H10ClFN2O2S/c1-7-11(12)8(2)15(14-7)18(16,17)10-5-3-9(13)4-6-10/h3-6H,1-2H3
InChIKeySMZXVLVTWZXAJB-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.53
Rot. Bonds2

About 4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole

4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 1225274) has the molecular formula C11H10ClFN2O2S and a molecular weight of 288.73 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID1225274
Molecular FormulaC11H10ClFN2O2S
Molecular Weight288.73 g/mol
Exact Mass288.01
IUPAC Name4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Cl
InChIInChI=1S/C11H10ClFN2O2S/c1-7-11(12)8(2)15(14-7)18(16,17)10-5-3-9(13)4-6-10/h3-6H,1-2H3
InChIKeySMZXVLVTWZXAJB-UHFFFAOYSA-N
XLogP2.53
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 683290
1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 791827
1-[(2,5-dichlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 2847848
3,5-Dimethyl-1-(phenylsulfonyl)-1H-pyrazole
CID 757430
1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole
CID 5324098
1-[(2,3-dichlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 804692
1-(4-Chlorophenyl)sulfonyl-3,5-dimethyl-4-phenylsulfanylpyrazole
CID 986468
1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole
CID 6463478
4-Chloro-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole
CID 6462811
1-[(3,4-dichlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 3655474
1-(4-Iodophenyl)sulfonyl-3,5-dimethylpyrazole
CID 1326097
4-Chloro-1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 6464020

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole (CID 1225274) is 4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole is Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Cl.
What is the InChIKey of 4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is SMZXVLVTWZXAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2S/c1-7-11(12)8(2)15(14-7)18(16,17)10-5-3-9(13)4-6-10/h3-6H,1-2H3.
What are the key properties of 4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole?
4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 288.73 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 1225274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).