1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole

C17H14N2O3S — CID 10019276

IUPAC1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C17H14N2O3S/c1-11-9-12(2)19(18-11)23(20,21)13-7-8-17-15(10-13)14-5-3-4-6-16(14)22-17/h3-10H,1-2H3
InChIKeyFVWMITJILZHLDF-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.64
Rot. Bonds2

About 1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole

1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole (PubChem CID 10019276) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole
PubChem CID10019276
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C17H14N2O3S/c1-11-9-12(2)19(18-11)23(20,21)13-7-8-17-15(10-13)14-5-3-4-6-16(14)22-17/h3-10H,1-2H3
InChIKeyFVWMITJILZHLDF-UHFFFAOYSA-N
XLogP3.64
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole (CID 10019276) is 1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole is Cc1cc(C)n(S(=O)(=O)c2ccc3oc4ccccc4c3c2)n1.
What is the InChIKey of 1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole?
The InChIKey is FVWMITJILZHLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-11-9-12(2)19(18-11)23(20,21)13-7-8-17-15(10-13)14-5-3-4-6-16(14)22-17/h3-10H,1-2H3.
What are the key properties of 1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole?
1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole has a molecular weight of 326.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-ylsulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 10019276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).