5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide

C9H9Br2NO3S — CID 82914474

IUPAC5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
SMILESC=C(Br)COc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C9H9Br2NO3S/c1-6(10)5-15-8-3-2-7(11)4-9(8)16(12,13)14/h2-4H,1,5H2,(H2,12,13,14)
InChIKeySVNCFWGGQLKFHC-UHFFFAOYSA-N
MW371.05 g/mol
LogP2.38
Rot. Bonds4

About 5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide

5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide (PubChem CID 82914474) has the molecular formula C9H9Br2NO3S and a molecular weight of 371.05 g/mol. Its IUPAC name is 5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
PubChem CID82914474
Molecular FormulaC9H9Br2NO3S
Molecular Weight371.05 g/mol
Exact Mass368.87
IUPAC Name5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
SMILESC=C(Br)COc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C9H9Br2NO3S/c1-6(10)5-15-8-3-2-7(11)4-9(8)16(12,13)14/h2-4H,1,5H2,(H2,12,13,14)
InChIKeySVNCFWGGQLKFHC-UHFFFAOYSA-N
XLogP2.38
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.05
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 62104800
2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide
CID 82914401
5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113386
5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide
CID 82921777
2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
CID 82916266
2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 82916940
4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene
CID 130721910
5-bromo-2-but-3-ynoxybenzenesulfonamide
CID 82915032
5-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112590347
5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726866
5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide
CID 62103693
4-(2-bromoprop-2-enoxy)-3-phenylbenzenesulfonamide
CID 82914133

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide (CID 82914474) is 5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide is C=C(Br)COc1ccc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide?
The InChIKey is SVNCFWGGQLKFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO3S/c1-6(10)5-15-8-3-2-7(11)4-9(8)16(12,13)14/h2-4H,1,5H2,(H2,12,13,14).
What are the key properties of 5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide?
5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide has a molecular weight of 371.05 g/mol, XLogP of 2.38, 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)benzenesulfonamide is sourced from PubChem (CID 82914474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).