5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide

C11H13BrClN3O4S — CID 43342363

IUPAC5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Cl)c1OCCN1CCNC1=O
InChIInChI=1S/C11H13BrClN3O4S/c12-7-5-8(13)10(9(6-7)21(14,18)19)20-4-3-16-2-1-15-11(16)17/h5-6H,1-4H2,(H,15,17)(H2,14,18,19)
InChIKeyZHLLWOIZLAVCFN-UHFFFAOYSA-N
MW398.67 g/mol
LogP1.15
Rot. Bonds5

About 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide

5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide (PubChem CID 43342363) has the molecular formula C11H13BrClN3O4S and a molecular weight of 398.67 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
PubChem CID43342363
Molecular FormulaC11H13BrClN3O4S
Molecular Weight398.67 g/mol
Exact Mass396.95
IUPAC Name5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Cl)c1OCCN1CCNC1=O
InChIInChI=1S/C11H13BrClN3O4S/c12-7-5-8(13)10(9(6-7)21(14,18)19)20-4-3-16-2-1-15-11(16)17/h5-6H,1-4H2,(H,15,17)(H2,14,18,19)
InChIKeyZHLLWOIZLAVCFN-UHFFFAOYSA-N
XLogP1.15
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.67
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride
CID 43121771
3-Chloro-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 43342415
5-Bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 62103329
5-Bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride
CID 62104932
5-Chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 62105186
5-Bromo-3-chloro-2-[1-(ethylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
CID 82909551
5-Bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82909628
5-Bromo-3-chloro-2-[2-(ethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82909711
5-Bromo-3-chloro-2-[2-oxo-2-(propylamino)ethoxy]benzenesulfonyl chloride
CID 82909712
5-Bromo-3-chloro-2-[2-(cyanomethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82909791
5-Bromo-3-chloro-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzenesulfonyl chloride
CID 82909873
5-Bromo-3-chloro-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
CID 82909958

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide (CID 43342363) is 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide is NS(=O)(=O)c1cc(Br)cc(Cl)c1OCCN1CCNC1=O.
What is the InChIKey of 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide?
The InChIKey is ZHLLWOIZLAVCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3O4S/c12-7-5-8(13)10(9(6-7)21(14,18)19)20-4-3-16-2-1-15-11(16)17/h5-6H,1-4H2,(H,15,17)(H2,14,18,19).
What are the key properties of 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide?
5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide has a molecular weight of 398.67 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 43342363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).