1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole

C11H10BrClN2O2S — CID 138046156

IUPAC1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole
SMILESCc1ccn(S(=O)(=O)c2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C11H10BrClN2O2S/c1-7-5-9(12)11(6-10(7)13)18(16,17)15-4-3-8(2)14-15/h3-6H,1-2H3
InChIKeyXUKOCOQOMJLMFG-UHFFFAOYSA-N
MW349.64 g/mol
LogP3.15
Rot. Bonds2

About 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole

1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole (PubChem CID 138046156) has the molecular formula C11H10BrClN2O2S and a molecular weight of 349.64 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole
PubChem CID138046156
Molecular FormulaC11H10BrClN2O2S
Molecular Weight349.64 g/mol
Exact Mass347.93
IUPAC Name1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole
SMILESCc1ccn(S(=O)(=O)c2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C11H10BrClN2O2S/c1-7-5-9(12)11(6-10(7)13)18(16,17)15-4-3-8(2)14-15/h3-6H,1-2H3
InChIKeyXUKOCOQOMJLMFG-UHFFFAOYSA-N
XLogP3.15
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.64
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole (CID 138046156) is 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole is Cc1ccn(S(=O)(=O)c2cc(Cl)c(C)cc2Br)n1.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is XUKOCOQOMJLMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2S/c1-7-5-9(12)11(6-10(7)13)18(16,17)15-4-3-8(2)14-15/h3-6H,1-2H3.
What are the key properties of 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole?
1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole has a molecular weight of 349.64 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 138046156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).