5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide

C11H16BrNO5S2 — CID 106726866

IUPAC5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide
SMILESCCCS(=O)(=O)CCOc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C11H16BrNO5S2/c1-2-6-19(14,15)7-5-18-10-4-3-9(12)8-11(10)20(13,16)17/h3-4,8H,2,5-7H2,1H3,(H2,13,16,17)
InChIKeyZYAOJWFXICGGBR-UHFFFAOYSA-N
MW386.29 g/mol
LogP1.30
Rot. Bonds7

About 5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide

5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide (PubChem CID 106726866) has the molecular formula C11H16BrNO5S2 and a molecular weight of 386.29 g/mol. Its IUPAC name is 5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide
PubChem CID106726866
Molecular FormulaC11H16BrNO5S2
Molecular Weight386.29 g/mol
Exact Mass384.97
IUPAC Name5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide
SMILESCCCS(=O)(=O)CCOc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C11H16BrNO5S2/c1-2-6-19(14,15)7-5-18-10-4-3-9(12)8-11(10)20(13,16)17/h3-4,8H,2,5-7H2,1H3,(H2,13,16,17)
InChIKeyZYAOJWFXICGGBR-UHFFFAOYSA-N
XLogP1.30
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728351
5-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112590347
5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726837
5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113386
1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]ethanol
CID 106726198
5-bromo-2-but-3-ynoxybenzenesulfonamide
CID 82915032
5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 62104800
5-bromo-2-(2-ethylsulfonylethoxy)benzenecarbothioamide
CID 83144929
2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide
CID 82914401
2-bromo-3-(2-propylsulfonylethoxy)aniline
CID 106721733
5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
CID 82914474
5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide
CID 82915384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide (CID 106726866) is 5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide is CCCS(=O)(=O)CCOc1ccc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide?
The InChIKey is ZYAOJWFXICGGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO5S2/c1-2-6-19(14,15)7-5-18-10-4-3-9(12)8-11(10)20(13,16)17/h3-4,8H,2,5-7H2,1H3,(H2,13,16,17).
What are the key properties of 5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide?
5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide has a molecular weight of 386.29 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide is sourced from PubChem (CID 106726866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).