1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole

C11H10Cl2N2O2S — CID 3655474

IUPAC1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N2O2S/c1-7-5-8(2)15(14-7)18(16,17)9-3-4-10(12)11(13)6-9/h3-6H,1-2H3
InChIKeyJJKDZNCSDKGNTL-UHFFFAOYSA-N
MW305.19 g/mol
LogP3.04
Rot. Bonds2

About 1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole

1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 3655474) has the molecular formula C11H10Cl2N2O2S and a molecular weight of 305.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID3655474
Molecular FormulaC11H10Cl2N2O2S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N2O2S/c1-7-5-8(2)15(14-7)18(16,17)9-3-4-10(12)11(13)6-9/h3-6H,1-2H3
InChIKeyJJKDZNCSDKGNTL-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-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole (CID 3655474) is 1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole is Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is JJKDZNCSDKGNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S/c1-7-5-8(2)15(14-7)18(16,17)9-3-4-10(12)11(13)6-9/h3-6H,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole?
1-(3,4-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-(3,4-dichlorophenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 3655474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).