3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide

C11H12FN3O3S — CID 82870377

IUPAC3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
SMILESCn1ccc(COc2ccc(S(N)(=O)=O)cc2F)n1
InChIInChI=1S/C11H12FN3O3S/c1-15-5-4-8(14-15)7-18-11-3-2-9(6-10(11)12)19(13,16)17/h2-6H,7H2,1H3,(H2,13,16,17)
InChIKeyJDIMXVYTAUDZSZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.79
Rot. Bonds4

About 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide

3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide (PubChem CID 82870377) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
PubChem CID82870377
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
SMILESCn1ccc(COc2ccc(S(N)(=O)=O)cc2F)n1
InChIInChI=1S/C11H12FN3O3S/c1-15-5-4-8(14-15)7-18-11-3-2-9(6-10(11)12)19(13,16)17/h2-6H,7H2,1H3,(H2,13,16,17)
InChIKeyJDIMXVYTAUDZSZ-UHFFFAOYSA-N
XLogP0.79
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide (CID 82870377) is 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide is Cn1ccc(COc2ccc(S(N)(=O)=O)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide?
The InChIKey is JDIMXVYTAUDZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-15-5-4-8(14-15)7-18-11-3-2-9(6-10(11)12)19(13,16)17/h2-6H,7H2,1H3,(H2,13,16,17).
What are the key properties of 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide?
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide has a molecular weight of 285.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82870377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).