5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide

C9H8Br2ClNO3S — CID 82921777

IUPAC5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide
SMILESC=C(Br)COc1c(Cl)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C9H8Br2ClNO3S/c1-5(10)4-16-9-7(12)2-6(11)3-8(9)17(13,14)15/h2-3H,1,4H2,(H2,13,14,15)
InChIKeyXFLDAQQBOHVTPY-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.04
Rot. Bonds4

About 5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide

5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide (PubChem CID 82921777) has the molecular formula C9H8Br2ClNO3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide
PubChem CID82921777
Molecular FormulaC9H8Br2ClNO3S
Molecular Weight405.50 g/mol
Exact Mass402.83
IUPAC Name5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide
SMILESC=C(Br)COc1c(Cl)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C9H8Br2ClNO3S/c1-5(10)4-16-9-7(12)2-6(11)3-8(9)17(13,14)15/h2-3H,1,4H2,(H2,13,14,15)
InChIKeyXFLDAQQBOHVTPY-UHFFFAOYSA-N
XLogP3.04
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chloro-6-sulfamoylphenoxy)acetamide
CID 82920977
5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide
CID 80694291
5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43164412
5-bromo-3-chloro-2-pentoxybenzenesulfonamide
CID 43164418
5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide
CID 61481199
5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
CID 82914474
5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide
CID 43164414
5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726837
5-bromo-3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82920902
5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 82913513
4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 82913558
5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 43342363

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide?
The IUPAC name of 5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide (CID 82921777) is 5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide?
The canonical SMILES for 5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide is C=C(Br)COc1c(Cl)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide?
The InChIKey is XFLDAQQBOHVTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2ClNO3S/c1-5(10)4-16-9-7(12)2-6(11)3-8(9)17(13,14)15/h2-3H,1,4H2,(H2,13,14,15).
What are the key properties of 5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide?
5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide has a molecular weight of 405.50 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 82921777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).