1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole

C12H12Cl2N2O2S — CID 3647844

IUPAC1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1
InChIInChI=1S/C12H12Cl2N2O2S/c1-7-4-12(11(14)6-10(7)13)19(17,18)16-9(3)5-8(2)15-16/h4-6H,1-3H3
InChIKeyKJRMKWJWBIEPIK-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.35
Rot. Bonds2

About 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole

1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 3647844) has the molecular formula C12H12Cl2N2O2S and a molecular weight of 319.21 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID3647844
Molecular FormulaC12H12Cl2N2O2S
Molecular Weight319.21 g/mol
Exact Mass318.00
IUPAC Name1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1
InChIInChI=1S/C12H12Cl2N2O2S/c1-7-4-12(11(14)6-10(7)13)19(17,18)16-9(3)5-8(2)15-16/h4-6H,1-3H3
InChIKeyKJRMKWJWBIEPIK-UHFFFAOYSA-N
XLogP3.35
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole (CID 3647844) is 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole is Cc1cc(C)n(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1.
What is the InChIKey of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is KJRMKWJWBIEPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S/c1-7-4-12(11(14)6-10(7)13)19(17,18)16-9(3)5-8(2)15-16/h4-6H,1-3H3.
What are the key properties of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 319.21 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 3647844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).