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

C23H28Br2N2O3S — CID 156650721

IUPACcyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
SMILESC1CCCCC1.O=S(=O)(Nc1ccc(Br)c(Br)c1)c1ccc2c(c1)C1OCCC1CN2
InChIInChI=1S/C17H16Br2N2O3S.C6H12/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;1-2-4-6-5-3-1/h1-4,7-8,10,17,20-21H,5-6,9H2;1-6H2
InChIKeyQIEYFDXIGDXBJH-UHFFFAOYSA-N
MW572.36 g/mol
LogP6.86
Rot. Bonds3

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

cyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide (PubChem CID 156650721) has the molecular formula C23H28Br2N2O3S and a molecular weight of 572.36 g/mol. Its IUPAC name is cyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide.

Molecular Properties

Compound Namecyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
PubChem CID156650721
Molecular FormulaC23H28Br2N2O3S
Molecular Weight572.36 g/mol
Exact Mass570.02
IUPAC Namecyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide
SMILESC1CCCCC1.O=S(=O)(Nc1ccc(Br)c(Br)c1)c1ccc2c(c1)C1OCCC1CN2
InChIInChI=1S/C17H16Br2N2O3S.C6H12/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;1-2-4-6-5-3-1/h1-4,7-8,10,17,20-21H,5-6,9H2;1-6H2
InChIKeyQIEYFDXIGDXBJH-UHFFFAOYSA-N
XLogP6.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.36
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide?
The IUPAC name of cyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide (CID 156650721) is cyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide.
What is the SMILES notation for cyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide?
The canonical SMILES for cyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide is C1CCCCC1.O=S(=O)(Nc1ccc(Br)c(Br)c1)c1ccc2c(c1)C1OCCC1CN2.
What is the InChIKey of cyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide?
The InChIKey is QIEYFDXIGDXBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O3S.C6H12/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;1-2-4-6-5-3-1/h1-4,7-8,10,17,20-21H,5-6,9H2;1-6H2.
What are the key properties of cyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide?
cyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide has a molecular weight of 572.36 g/mol, XLogP of 6.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;N-(3,4-dibromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-sulfonamide is sourced from PubChem (CID 156650721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).