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

C12H11Cl3N2O3S — CID 82913218

IUPAC2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride
SMILESCCn1ccnc1COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N2O3S/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
InChIKeyPTIPDPDQELOBEB-UHFFFAOYSA-N
MW369.66 g/mol
LogP3.72
Rot. Bonds5

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

2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride (PubChem CID 82913218) has the molecular formula C12H11Cl3N2O3S and a molecular weight of 369.66 g/mol. Its IUPAC name is 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride
PubChem CID82913218
Molecular FormulaC12H11Cl3N2O3S
Molecular Weight369.66 g/mol
Exact Mass367.96
IUPAC Name2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride
SMILESCCn1ccnc1COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N2O3S/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
InChIKeyPTIPDPDQELOBEB-UHFFFAOYSA-N
XLogP3.72
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.66
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 82912915
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]benzaldehyde
CID 62406949
2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
CID 62736045
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
4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride
CID 82910234
2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528547
3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]benzoic acid
CID 62737720
2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride
CID 65458261
[3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol
CID 62736229
2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde
CID 63325007
4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 78990443

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride (CID 82913218) is 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride is CCn1ccnc1COc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is PTIPDPDQELOBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2O3S/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.
What are the key properties of 2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride?
2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 369.66 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 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]benzenesulfonyl chloride is sourced from PubChem (CID 82913218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).