1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole

C11H10Cl2N2O2S — CID 2847848

IUPAC1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H10Cl2N2O2S/c1-7-5-8(2)15(14-7)18(16,17)11-6-9(12)3-4-10(11)13/h3-6H,1-2H3
InChIKeyDEKWTSMUEZIJAJ-UHFFFAOYSA-N
MW305.19 g/mol
LogP3.04
Rot. Bonds2

About 1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole

1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 2847848) has the molecular formula C11H10Cl2N2O2S and a molecular weight of 305.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID2847848
Molecular FormulaC11H10Cl2N2O2S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H10Cl2N2O2S/c1-7-5-8(2)15(14-7)18(16,17)11-6-9(12)3-4-10(11)13/h3-6H,1-2H3
InChIKeyDEKWTSMUEZIJAJ-UHFFFAOYSA-N
XLogP3.04
TPSA51.96 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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole (CID 2847848) is 1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole is Cc1cc(C)n(S(=O)(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is DEKWTSMUEZIJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S/c1-7-5-8(2)15(14-7)18(16,17)11-6-9(12)3-4-10(11)13/h3-6H,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole?
1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 305.19 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 2847848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).