3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide

C12H14FN3O3S — CID 103003957

IUPAC3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
SMILESCn1cc(CCOc2ccc(S(N)(=O)=O)cc2F)cn1
InChIInChI=1S/C12H14FN3O3S/c1-16-8-9(7-15-16)4-5-19-12-3-2-10(6-11(12)13)20(14,17)18/h2-3,6-8H,4-5H2,1H3,(H2,14,17,18)
InChIKeyWPFDGJOCVJCAFY-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.83
Rot. Bonds5

About 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide

3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide (PubChem CID 103003957) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
PubChem CID103003957
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
SMILESCn1cc(CCOc2ccc(S(N)(=O)=O)cc2F)cn1
InChIInChI=1S/C12H14FN3O3S/c1-16-8-9(7-15-16)4-5-19-12-3-2-10(6-11(12)13)20(14,17)18/h2-3,6-8H,4-5H2,1H3,(H2,14,17,18)
InChIKeyWPFDGJOCVJCAFY-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336
(1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999976
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003963
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide
CID 107666557
3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 82913717
5-fluoro-2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999396
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
CID 81113749
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210
4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870377

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide (CID 103003957) is 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide is Cn1cc(CCOc2ccc(S(N)(=O)=O)cc2F)cn1.
What is the InChIKey of 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide?
The InChIKey is WPFDGJOCVJCAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-16-8-9(7-15-16)4-5-19-12-3-2-10(6-11(12)13)20(14,17)18/h2-3,6-8H,4-5H2,1H3,(H2,14,17,18).
What are the key properties of 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide?
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 103003957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).