N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide

C19H20N2O3S — CID 1267630

IUPACN-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C19H20N2O3S/c1-3-21(14-15-8-5-4-6-9-15)25(22,23)18-12-11-17(24-2)19-16(18)10-7-13-20-19/h4-13H,3,14H2,1-2H3
InChIKeyVCIHNGRIIKHYDI-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.45
Rot. Bonds6

About N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide

N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide (PubChem CID 1267630) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
PubChem CID1267630
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C19H20N2O3S/c1-3-21(14-15-8-5-4-6-9-15)25(22,23)18-12-11-17(24-2)19-16(18)10-7-13-20-19/h4-13H,3,14H2,1-2H3
InChIKeyVCIHNGRIIKHYDI-UHFFFAOYSA-N
XLogP3.45
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-ethyl-8-methoxyquinoline-5-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 N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide (CID 1267630) is N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c2ncccc12.
What is the InChIKey of N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide?
The InChIKey is VCIHNGRIIKHYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-21(14-15-8-5-4-6-9-15)25(22,23)18-12-11-17(24-2)19-16(18)10-7-13-20-19/h4-13H,3,14H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide?
N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide is sourced from PubChem (CID 1267630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).