2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide

C12H13Cl2N3O3S — CID 82912915

IUPAC2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
SMILESCCn1ccnc1COc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H13Cl2N3O3S/c1-2-17-4-3-16-12(17)7-20-10-5-9(14)11(6-8(10)13)21(15,18)19/h3-6H,2,7H2,1H3,(H2,15,18,19)
InChIKeyAWXPJKUNNKHKBE-UHFFFAOYSA-N
MW350.23 g/mol
LogP2.44
Rot. Bonds5

About 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide

2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide (PubChem CID 82912915) has the molecular formula C12H13Cl2N3O3S and a molecular weight of 350.23 g/mol. Its IUPAC name is 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
PubChem CID82912915
Molecular FormulaC12H13Cl2N3O3S
Molecular Weight350.23 g/mol
Exact Mass349.01
IUPAC Name2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
SMILESCCn1ccnc1COc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H13Cl2N3O3S/c1-2-17-4-3-16-12(17)7-20-10-5-9(14)11(6-8(10)13)21(15,18)19/h3-6H,2,7H2,1H3,(H2,15,18,19)
InChIKeyAWXPJKUNNKHKBE-UHFFFAOYSA-N
XLogP2.44
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride
CID 82913218
2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528547
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]benzaldehyde
CID 62406949
4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 78990443
2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82914081
2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
CID 62736045
2,5-dichloro-4-[(2-chlorophenyl)methoxy]benzenesulfonamide
CID 43342568
2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide
CID 82912914
N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 62737898
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]-5-methoxybenzoic acid
CID 62737339
2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82913877
3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid
CID 62737720

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide (CID 82912915) is 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide is CCn1ccnc1COc1cc(Cl)c(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide?
The InChIKey is AWXPJKUNNKHKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O3S/c1-2-17-4-3-16-12(17)7-20-10-5-9(14)11(6-8(10)13)21(15,18)19/h3-6H,2,7H2,1H3,(H2,15,18,19).
What are the key properties of 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide?
2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide has a molecular weight of 350.23 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82912915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).