4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide

C12H14FN3O3S — CID 62126752

IUPAC4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide
SMILESCCn1cc(COc2ccc(S(N)(=O)=O)cc2F)cn1
InChIInChI=1S/C12H14FN3O3S/c1-2-16-7-9(6-15-16)8-19-12-4-3-10(5-11(12)13)20(14,17)18/h3-7H,2,8H2,1H3,(H2,14,17,18)
InChIKeyOZICFGGUZZXUIA-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.27
Rot. Bonds5

About 4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide

4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide (PubChem CID 62126752) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide
PubChem CID62126752
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide
SMILESCCn1cc(COc2ccc(S(N)(=O)=O)cc2F)cn1
InChIInChI=1S/C12H14FN3O3S/c1-2-16-7-9(6-15-16)8-19-12-4-3-10(5-11(12)13)20(14,17)18/h3-7H,2,8H2,1H3,(H2,14,17,18)
InChIKeyOZICFGGUZZXUIA-UHFFFAOYSA-N
XLogP1.27
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide (CID 62126752) is 4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide is CCn1cc(COc2ccc(S(N)(=O)=O)cc2F)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide?
The InChIKey is OZICFGGUZZXUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-2-16-7-9(6-15-16)8-19-12-4-3-10(5-11(12)13)20(14,17)18/h3-7H,2,8H2,1H3,(H2,14,17,18).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide?
4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 62126752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).