3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide

C12H15Br2NO4S — CID 65162551

IUPAC3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(OCCC2CCCO2)c(Br)c1
InChIInChI=1S/C12H15Br2NO4S/c13-10-6-9(20(15,16)17)7-11(14)12(10)19-5-3-8-2-1-4-18-8/h6-8H,1-5H2,(H2,15,16,17)
InChIKeyWNYKZDICMAITSL-UHFFFAOYSA-N
MW429.13 g/mol
LogP2.81
Rot. Bonds5

About 3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide

3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide (PubChem CID 65162551) has the molecular formula C12H15Br2NO4S and a molecular weight of 429.13 g/mol. Its IUPAC name is 3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide
PubChem CID65162551
Molecular FormulaC12H15Br2NO4S
Molecular Weight429.13 g/mol
Exact Mass426.91
IUPAC Name3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(OCCC2CCCO2)c(Br)c1
InChIInChI=1S/C12H15Br2NO4S/c13-10-6-9(20(15,16)17)7-11(14)12(10)19-5-3-8-2-1-4-18-8/h6-8H,1-5H2,(H2,15,16,17)
InChIKeyWNYKZDICMAITSL-UHFFFAOYSA-N
XLogP2.81
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.13
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-[3-(oxolan-2-yl)propoxy]benzenesulfonamide
CID 65163200
3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107738433
5-chloro-6-[2-(oxolan-2-yl)ethoxy]pyridine-3-sulfonamide
CID 67126797
(E)-3-[3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-enoic acid
CID 107739218
3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline
CID 65159099
3-bromo-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 81499922
[3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65162786
2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride
CID 65163326
3-bromo-5-methoxy-4-[2-[(2R)-oxolan-2-yl]ethoxy]benzonitrile
CID 100669070
2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride
CID 65163699
3-bromo-5-[2-(oxolan-2-yl)ethoxy]pyridine
CID 65160795
3-bromo-5-[2-(oxolan-2-yl)ethoxy]aniline
CID 103588138

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide?
The IUPAC name of 3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide (CID 65162551) is 3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for 3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for 3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide is NS(=O)(=O)c1cc(Br)c(OCCC2CCCO2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide?
The InChIKey is WNYKZDICMAITSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO4S/c13-10-6-9(20(15,16)17)7-11(14)12(10)19-5-3-8-2-1-4-18-8/h6-8H,1-5H2,(H2,15,16,17).
What are the key properties of 3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide?
3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide has a molecular weight of 429.13 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 65162551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).