4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide

C12H14FN3O3S — CID 82921640

IUPAC4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide
SMILESCCn1cncc1COc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H14FN3O3S/c1-2-16-8-15-6-9(16)7-19-12-4-3-10(5-11(12)13)20(14,17)18/h3-6,8H,2,7H2,1H3,(H2,14,17,18)
InChIKeyPRKZLOMHYZIBQI-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.27
Rot. Bonds5

About 4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide

4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide (PubChem CID 82921640) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide
PubChem CID82921640
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide
SMILESCCn1cncc1COc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H14FN3O3S/c1-2-16-8-15-6-9(16)7-19-12-4-3-10(5-11(12)13)20(14,17)18/h3-6,8H,2,7H2,1H3,(H2,14,17,18)
InChIKeyPRKZLOMHYZIBQI-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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Related Compounds

4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
[2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine
CID 107695029
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870377
3-methyl-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82921804
5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole
CID 66153948
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
CID 81113749
4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide
CID 43342384
4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid
CID 66155090
3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide
CID 82913722
1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 66152416

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide (CID 82921640) is 4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide is CCn1cncc1COc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide?
The InChIKey is PRKZLOMHYZIBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-2-16-8-15-6-9(16)7-19-12-4-3-10(5-11(12)13)20(14,17)18/h3-6,8H,2,7H2,1H3,(H2,14,17,18).
What are the key properties of 4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide?
4-[(3-ethylimidazol-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-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 82921640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).