3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide

C11H11F2N3O3S — CID 81268227

IUPAC3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
SMILESCn1cc(COc2c(F)cc(S(N)(=O)=O)cc2F)cn1
InChIInChI=1S/C11H11F2N3O3S/c1-16-5-7(4-15-16)6-19-11-9(12)2-8(3-10(11)13)20(14,17)18/h2-5H,6H2,1H3,(H2,14,17,18)
InChIKeyOBELDIHVWYKNBA-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.92
Rot. Bonds4

About 3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide

3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide (PubChem CID 81268227) has the molecular formula C11H11F2N3O3S and a molecular weight of 303.29 g/mol. Its IUPAC name is 3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
PubChem CID81268227
Molecular FormulaC11H11F2N3O3S
Molecular Weight303.29 g/mol
Exact Mass303.05
IUPAC Name3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
SMILESCn1cc(COc2c(F)cc(S(N)(=O)=O)cc2F)cn1
InChIInChI=1S/C11H11F2N3O3S/c1-16-5-7(4-15-16)6-19-11-9(12)2-8(3-10(11)13)20(14,17)18/h2-5H,6H2,1H3,(H2,14,17,18)
InChIKeyOBELDIHVWYKNBA-UHFFFAOYSA-N
XLogP0.92
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide (CID 81268227) is 3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide is Cn1cc(COc2c(F)cc(S(N)(=O)=O)cc2F)cn1.
What is the InChIKey of 3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
The InChIKey is OBELDIHVWYKNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O3S/c1-16-5-7(4-15-16)6-19-11-9(12)2-8(3-10(11)13)20(14,17)18/h2-5H,6H2,1H3,(H2,14,17,18).
What are the key properties of 3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide has a molecular weight of 303.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 81268227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).