4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole

C11H10Cl2N2O2S — CID 59823147

IUPAC4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole
SMILESCC1=NN=C(C)C1S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O2S/c1-6-11(7(2)15-14-6)18(16,17)10-4-3-8(12)5-9(10)13/h3-5,11H,1-2H3
InChIKeyZVADSSMHENSIAB-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.99
Rot. Bonds2

About 4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole

4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole (PubChem CID 59823147) has the molecular formula C11H10Cl2N2O2S and a molecular weight of 305.19 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole
PubChem CID59823147
Molecular FormulaC11H10Cl2N2O2S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC Name4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole
SMILESCC1=NN=C(C)C1S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O2S/c1-6-11(7(2)15-14-6)18(16,17)10-4-3-8(12)5-9(10)13/h3-5,11H,1-2H3
InChIKeyZVADSSMHENSIAB-UHFFFAOYSA-N
XLogP2.99
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2,4-dichloro-1-propan-2-ylsulfonylbenzene
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3-(2,4-dichlorophenyl)sulfonylpyrrolidine
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sodium;2,4-dichlorobenzenesulfonic acid;hydride
CID 173175851
sulfuryl dichloride;1,2,4-trichlorobenzene
CID 77134549
N-[(2,4-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 125424579
2,4-dichloro-N-hydroxybenzenesulfonamide
CID 83542895
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
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1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
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2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
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CID 4914608

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole?
The IUPAC name of 4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole (CID 59823147) is 4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole is CC1=NN=C(C)C1S(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole?
The InChIKey is ZVADSSMHENSIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S/c1-6-11(7(2)15-14-6)18(16,17)10-4-3-8(12)5-9(10)13/h3-5,11H,1-2H3.
What are the key properties of 4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole?
4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole has a molecular weight of 305.19 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole is sourced from PubChem (CID 59823147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).