5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride

C11H10BrCl2NO4S — CID 82909628

IUPAC5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
SMILESO=C(COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl)NC1CC1
InChIInChI=1S/C11H10BrCl2NO4S/c12-6-3-8(13)11(9(4-6)20(14,17)18)19-5-10(16)15-7-1-2-7/h3-4,7H,1-2,5H2,(H,15,16)
InChIKeyKNGMZPSZSMOWFI-UHFFFAOYSA-N
MW403.08 g/mol
LogP2.69
Rot. Bonds5

About 5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride

5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride (PubChem CID 82909628) has the molecular formula C11H10BrCl2NO4S and a molecular weight of 403.08 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
PubChem CID82909628
Molecular FormulaC11H10BrCl2NO4S
Molecular Weight403.08 g/mol
Exact Mass400.89
IUPAC Name5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
SMILESO=C(COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl)NC1CC1
InChIInChI=1S/C11H10BrCl2NO4S/c12-6-3-8(13)11(9(4-6)20(14,17)18)19-5-10(16)15-7-1-2-7/h3-4,7H,1-2,5H2,(H,15,16)
InChIKeyKNGMZPSZSMOWFI-UHFFFAOYSA-N
XLogP2.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.08
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-cyclopropylacetamide
CID 4202313
2-(4-bromo-2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 5189661
2-(4-bromo-2-chlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7382466
2-(4-bromo-2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7382467
3-Chloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 17609363
5-Bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonyl chloride
CID 43121771
5-Bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 43342363
2-(2-Amino-2-oxoethoxy)-5-bromo-3-chlorobenzenesulfonyl chloride
CID 82909544
5-Bromo-3-chloro-2-[1-(ethylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
CID 82909551
2-(1-Amino-1-oxopropan-2-yl)oxy-5-bromo-3-chlorobenzenesulfonyl chloride
CID 82909630
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride (CID 82909628) is 5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride is O=C(COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl)NC1CC1.
What is the InChIKey of 5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The InChIKey is KNGMZPSZSMOWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2NO4S/c12-6-3-8(13)11(9(4-6)20(14,17)18)19-5-10(16)15-7-1-2-7/h3-4,7H,1-2,5H2,(H,15,16).
What are the key properties of 5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride?
5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride has a molecular weight of 403.08 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82909628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).