N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide

C12H14Br2N2O3S — CID 66197683

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide
SMILESNC1C2CCOC2C1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H14Br2N2O3S/c13-6-1-2-8(14)9(5-6)20(17,18)16-11-10(15)7-3-4-19-12(7)11/h1-2,5,7,10-12,16H,3-4,15H2
InChIKeyYALLWABMNBBRNL-UHFFFAOYSA-N
MW426.13 g/mol
LogP1.60
Rot. Bonds3

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide (PubChem CID 66197683) has the molecular formula C12H14Br2N2O3S and a molecular weight of 426.13 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide
PubChem CID66197683
Molecular FormulaC12H14Br2N2O3S
Molecular Weight426.13 g/mol
Exact Mass423.91
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide
SMILESNC1C2CCOC2C1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H14Br2N2O3S/c13-6-1-2-8(14)9(5-6)20(17,18)16-11-10(15)7-3-4-19-12(7)11/h1-2,5,7,10-12,16H,3-4,15H2
InChIKeyYALLWABMNBBRNL-UHFFFAOYSA-N
XLogP1.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.13
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-bromo-3-methylbenzenesulfonamide
CID 66196908
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-bromo-4,6-difluorobenzenesulfonamide
CID 66196344
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dichlorothiophene-3-sulfonamide
CID 66196339
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 66195378
N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide
CID 43596915
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide
CID 66197296
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methylpyrazole-3-sulfonamide
CID 104710290
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide
CID 66197692
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-bromo-2-methylbenzamide
CID 66194773
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 91768269
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-1-methylimidazole-4-sulfonamide
CID 66194994
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-6-cyanopyridine-3-sulfonamide
CID 114614884

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide (CID 66197683) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide is NC1C2CCOC2C1NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide?
The InChIKey is YALLWABMNBBRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O3S/c13-6-1-2-8(14)9(5-6)20(17,18)16-11-10(15)7-3-4-19-12(7)11/h1-2,5,7,10-12,16H,3-4,15H2.
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide has a molecular weight of 426.13 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,5-dibromobenzenesulfonamide is sourced from PubChem (CID 66197683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).