4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide

C12H15N3O3S — CID 78990443

IUPAC4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
SMILESCCn1ccnc1COc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H15N3O3S/c1-2-15-8-7-14-12(15)9-18-10-3-5-11(6-4-10)19(13,16)17/h3-8H,2,9H2,1H3,(H2,13,16,17)
InChIKeyMJGLGXPWIMKGDC-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.13
Rot. Bonds5

About 4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide

4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide (PubChem CID 78990443) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
PubChem CID78990443
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
SMILESCCn1ccnc1COc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H15N3O3S/c1-2-15-8-7-14-12(15)9-18-10-3-5-11(6-4-10)19(13,16)17/h3-8H,2,9H2,1H3,(H2,13,16,17)
InChIKeyMJGLGXPWIMKGDC-UHFFFAOYSA-N
XLogP1.13
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2-[(4-ethylphenoxy)methyl]imidazole
CID 63678506
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-one
CID 62406936
4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine
CID 62737524
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 78932314
N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 62738073
2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 82912915
2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole
CID 62736409
[5-[(1-ethylimidazol-2-yl)methoxy]-2-pyridinyl]methanol
CID 79799356
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494639
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865
3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine
CID 106938283
2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde
CID 63325007

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide?
The IUPAC name of 4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide (CID 78990443) is 4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide is CCn1ccnc1COc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide?
The InChIKey is MJGLGXPWIMKGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-2-15-8-7-14-12(15)9-18-10-3-5-11(6-4-10)19(13,16)17/h3-8H,2,9H2,1H3,(H2,13,16,17).
What are the key properties of 4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide?
4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 78990443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).