N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide

C17H16Br2N2O3S — CID 156650722

IUPACN-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(Br)c1)c1ccc2c(c1)C1OCCC1CN2
InChIInChI=1S/C17H16Br2N2O3S/c18-14-3-1-11(7-15(14)19)21-25(22,23)12-2-4-16-13(8-12)17-10(9-20-16)5-6-24-17/h1-4,7-8,10,17,20-21H,5-6,9H2
InChIKeyAJFPSZIMNQGUON-UHFFFAOYSA-N
MW488.20 g/mol
LogP4.52
Rot. Bonds3

About N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide

N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide (PubChem CID 156650722) has the molecular formula C17H16Br2N2O3S and a molecular weight of 488.20 g/mol. Its IUPAC name is N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
PubChem CID156650722
Molecular FormulaC17H16Br2N2O3S
Molecular Weight488.20 g/mol
Exact Mass485.92
IUPAC NameN-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(Br)c1)c1ccc2c(c1)C1OCCC1CN2
InChIInChI=1S/C17H16Br2N2O3S/c18-14-3-1-11(7-15(14)19)21-25(22,23)12-2-4-16-13(8-12)17-10(9-20-16)5-6-24-17/h1-4,7-8,10,17,20-21H,5-6,9H2
InChIKeyAJFPSZIMNQGUON-UHFFFAOYSA-N
XLogP4.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.20
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide with MolForge

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Related Compounds

cyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
CID 156650721
(3aS)-N-[3-(dimethylamino)phenyl]-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide;cyclohexane
CID 156650690
(3aS,9bS)-N-(3,4-dimethylphenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-8-sulfonamide
CID 156650599
(3aS,4S)-4-(1-acetylpiperidin-4-yl)-N-(3,4-dimethylphenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
CID 170925233
(3aS)-N-(3,4-dimethylphenyl)-4-naphthalen-1-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
CID 170925270
(3aS,4R)-4-(4-benzoylphenyl)-N-(3,4-dimethylphenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
CID 170925242
(3aS,9bS)-4-(3-acetylphenyl)-N-(3,4-dimethylphenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
CID 159097043
(3aR,4S)-N-(3,4-dimethylphenyl)-4-[4-(2-methylpropanoyl)phenyl]-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
CID 170925222
(3aS)-N-[3-(1-hydroxyethyl)phenyl]-4-(4-propan-2-ylphenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
CID 156650697
(3aS,4R,9bS)-N-[3,4-bis(trifluoromethyl)phenyl]-4-[4-(2-methylpropanoyl)phenyl]-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
CID 170925262
N-(3,4-dimethylphenyl)-4-[4-(2-ethylpentanoyl)phenyl]-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
CID 156650623
N-(4-bromo-3-methylphenyl)-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22516477

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide?
The IUPAC name of N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide (CID 156650722) is N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide.
What is the SMILES notation for N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide?
The canonical SMILES for N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide is O=S(=O)(Nc1ccc(Br)c(Br)c1)c1ccc2c(c1)C1OCCC1CN2.
What is the InChIKey of N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide?
The InChIKey is AJFPSZIMNQGUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O3S/c18-14-3-1-11(7-15(14)19)21-25(22,23)12-2-4-16-13(8-12)17-10(9-20-16)5-6-24-17/h1-4,7-8,10,17,20-21H,5-6,9H2.
What are the key properties of N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide?
N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide has a molecular weight of 488.20 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide is sourced from PubChem (CID 156650722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).