N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide

C21H23N3O2S — CID 22506630

IUPACN-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(c1cccc2cccnc12)N(CC1CCCNC1)c1ccccc1
InChIInChI=1S/C21H23N3O2S/c25-27(26,20-12-4-8-18-9-6-14-23-21(18)20)24(19-10-2-1-3-11-19)16-17-7-5-13-22-15-17/h1-4,6,8-12,14,17,22H,5,7,13,15-16H2
InChIKeyJEFJCIBDUPDUDA-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.43
Rot. Bonds5

About N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide

N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide (PubChem CID 22506630) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide
PubChem CID22506630
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(c1cccc2cccnc12)N(CC1CCCNC1)c1ccccc1
InChIInChI=1S/C21H23N3O2S/c25-27(26,20-12-4-8-18-9-6-14-23-21(18)20)24(19-10-2-1-3-11-19)16-17-7-5-13-22-15-17/h1-4,6,8-12,14,17,22H,5,7,13,15-16H2
InChIKeyJEFJCIBDUPDUDA-UHFFFAOYSA-N
XLogP3.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-phenyl-N-(piperidin-3-ylmethyl)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 N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide?
The IUPAC name of N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide (CID 22506630) is N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide?
The canonical SMILES for N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide is O=S(=O)(c1cccc2cccnc12)N(CC1CCCNC1)c1ccccc1.
What is the InChIKey of N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide?
The InChIKey is JEFJCIBDUPDUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-27(26,20-12-4-8-18-9-6-14-23-21(18)20)24(19-10-2-1-3-11-19)16-17-7-5-13-22-15-17/h1-4,6,8-12,14,17,22H,5,7,13,15-16H2.
What are the key properties of N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide?
N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide has a molecular weight of 381.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 22506630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).