5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride

C12H11BrClFN2O3S — CID 114527415

IUPAC5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
SMILESCn1ccnc1CCOc1cc(F)c(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C12H11BrClFN2O3S/c1-17-4-3-16-12(17)2-5-20-10-7-9(15)11(6-8(10)13)21(14,18)19/h3-4,6-7H,2,5H2,1H3
InChIKeyASZWTGJPHJNRQW-UHFFFAOYSA-N
MW397.65 g/mol
LogP2.87
Rot. Bonds5

About 5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride

5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride (PubChem CID 114527415) has the molecular formula C12H11BrClFN2O3S and a molecular weight of 397.65 g/mol. Its IUPAC name is 5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
PubChem CID114527415
Molecular FormulaC12H11BrClFN2O3S
Molecular Weight397.65 g/mol
Exact Mass395.93
IUPAC Name5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
SMILESCn1ccnc1CCOc1cc(F)c(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C12H11BrClFN2O3S/c1-17-4-3-16-12(17)2-5-20-10-7-9(15)11(6-8(10)13)21(14,18)19/h3-4,6-7H,2,5H2,1H3
InChIKeyASZWTGJPHJNRQW-UHFFFAOYSA-N
XLogP2.87
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.65
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527399
5-bromo-3-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527410
2,5-dichloro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528547
5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82921328
5-bromo-4-but-3-enoxy-2-fluorobenzenesulfonyl chloride
CID 82922059
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528456
2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonamide
CID 114528545
3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride
CID 114527396
2-(1-methylimidazol-2-yl)ethyl 5-amino-2-bromo-4-fluorobenzoate
CID 114531067
(1S)-1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934213
N-[[3-bromo-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527207
5-bromo-2-fluoro-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride
CID 82921982

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride (CID 114527415) is 5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride is Cn1ccnc1CCOc1cc(F)c(S(=O)(=O)Cl)cc1Br.
What is the InChIKey of 5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride?
The InChIKey is ASZWTGJPHJNRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN2O3S/c1-17-4-3-16-12(17)2-5-20-10-7-9(15)11(6-8(10)13)21(14,18)19/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride?
5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride has a molecular weight of 397.65 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 114527415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).