2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide

C11H11F2N3O3S — CID 63038164

IUPAC2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
SMILESCn1cc(COc2ccc(S(N)(=O)=O)c(F)c2F)cn1
InChIInChI=1S/C11H11F2N3O3S/c1-16-5-7(4-15-16)6-19-8-2-3-9(20(14,17)18)11(13)10(8)12/h2-5H,6H2,1H3,(H2,14,17,18)
InChIKeyPIKHZZMETYLDCM-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.92
Rot. Bonds4

About 2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide

2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide (PubChem CID 63038164) has the molecular formula C11H11F2N3O3S and a molecular weight of 303.29 g/mol. Its IUPAC name is 2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
PubChem CID63038164
Molecular FormulaC11H11F2N3O3S
Molecular Weight303.29 g/mol
Exact Mass303.05
IUPAC Name2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
SMILESCn1cc(COc2ccc(S(N)(=O)=O)c(F)c2F)cn1
InChIInChI=1S/C11H11F2N3O3S/c1-16-5-7(4-15-16)6-19-8-2-3-9(20(14,17)18)11(13)10(8)12/h2-5H,6H2,1H3,(H2,14,17,18)
InChIKeyPIKHZZMETYLDCM-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 2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
The IUPAC name of 2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide (CID 63038164) is 2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide is Cn1cc(COc2ccc(S(N)(=O)=O)c(F)c2F)cn1.
What is the InChIKey of 2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
The InChIKey is PIKHZZMETYLDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O3S/c1-16-5-7(4-15-16)6-19-8-2-3-9(20(14,17)18)11(13)10(8)12/h2-5H,6H2,1H3,(H2,14,17,18).
What are the key properties of 2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide?
2,3-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 2,3-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 63038164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).