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

C11H11BrN2O2S — CID 785736

IUPAC1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C11H11BrN2O2S/c1-8-7-9(2)14(13-8)17(15,16)11-5-3-10(12)4-6-11/h3-7H,1-2H3
InChIKeyVYEZMDLNVFMADT-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.50
Rot. Bonds2

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

1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 785736) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID785736
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C11H11BrN2O2S/c1-8-7-9(2)14(13-8)17(15,16)11-5-3-10(12)4-6-11/h3-7H,1-2H3
InChIKeyVYEZMDLNVFMADT-UHFFFAOYSA-N
XLogP2.50
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole (CID 785736) is 1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole is Cc1cc(C)n(S(=O)(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is VYEZMDLNVFMADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-8-7-9(2)14(13-8)17(15,16)11-5-3-10(12)4-6-11/h3-7H,1-2H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole?
1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 315.19 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 785736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).