N-butyl-N-phenylquinoline-8-sulfonamide

C19H20N2O2S — CID 6621395

IUPACN-butyl-N-phenylquinoline-8-sulfonamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C19H20N2O2S/c1-2-3-15-21(17-11-5-4-6-12-17)24(22,23)18-13-7-9-16-10-8-14-20-19(16)18/h4-14H,2-3,15H2,1H3
InChIKeyBFHHVGFGNFAUBS-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.23
Rot. Bonds6

About N-butyl-N-phenylquinoline-8-sulfonamide

N-butyl-N-phenylquinoline-8-sulfonamide (PubChem CID 6621395) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-butyl-N-phenylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-phenylquinoline-8-sulfonamide
PubChem CID6621395
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-butyl-N-phenylquinoline-8-sulfonamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C19H20N2O2S/c1-2-3-15-21(17-11-5-4-6-12-17)24(22,23)18-13-7-9-16-10-8-14-20-19(16)18/h4-14H,2-3,15H2,1H3
InChIKeyBFHHVGFGNFAUBS-UHFFFAOYSA-N
XLogP4.23
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-phenylquinoline-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 N-butyl-N-phenylquinoline-8-sulfonamide?
The IUPAC name of N-butyl-N-phenylquinoline-8-sulfonamide (CID 6621395) is N-butyl-N-phenylquinoline-8-sulfonamide.
What is the SMILES notation for N-butyl-N-phenylquinoline-8-sulfonamide?
The canonical SMILES for N-butyl-N-phenylquinoline-8-sulfonamide is CCCCN(c1ccccc1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-butyl-N-phenylquinoline-8-sulfonamide?
The InChIKey is BFHHVGFGNFAUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-3-15-21(17-11-5-4-6-12-17)24(22,23)18-13-7-9-16-10-8-14-20-19(16)18/h4-14H,2-3,15H2,1H3.
What are the key properties of N-butyl-N-phenylquinoline-8-sulfonamide?
N-butyl-N-phenylquinoline-8-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenylquinoline-8-sulfonamide is sourced from PubChem (CID 6621395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).