N-quinolin-8-ylbutane-1-sulfonamide

C13H16N2O2S — CID 22670868

IUPACN-quinolin-8-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C13H16N2O2S/c1-2-3-10-18(16,17)15-12-8-4-6-11-7-5-9-14-13(11)12/h4-9,15H,2-3,10H2,1H3
InChIKeyHZTVXZCYPGQFGU-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.78
Rot. Bonds5

About N-quinolin-8-ylbutane-1-sulfonamide

N-quinolin-8-ylbutane-1-sulfonamide (PubChem CID 22670868) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-quinolin-8-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-quinolin-8-ylbutane-1-sulfonamide
PubChem CID22670868
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-quinolin-8-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C13H16N2O2S/c1-2-3-10-18(16,17)15-12-8-4-6-11-7-5-9-14-13(11)12/h4-9,15H,2-3,10H2,1H3
InChIKeyHZTVXZCYPGQFGU-UHFFFAOYSA-N
XLogP2.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-quinolin-8-ylbutane-1-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-quinolin-8-ylbutane-1-sulfonamide?
The IUPAC name of N-quinolin-8-ylbutane-1-sulfonamide (CID 22670868) is N-quinolin-8-ylbutane-1-sulfonamide.
What is the SMILES notation for N-quinolin-8-ylbutane-1-sulfonamide?
The canonical SMILES for N-quinolin-8-ylbutane-1-sulfonamide is CCCCS(=O)(=O)Nc1cccc2cccnc12.
What is the InChIKey of N-quinolin-8-ylbutane-1-sulfonamide?
The InChIKey is HZTVXZCYPGQFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-2-3-10-18(16,17)15-12-8-4-6-11-7-5-9-14-13(11)12/h4-9,15H,2-3,10H2,1H3.
What are the key properties of N-quinolin-8-ylbutane-1-sulfonamide?
N-quinolin-8-ylbutane-1-sulfonamide has a molecular weight of 264.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-ylbutane-1-sulfonamide is sourced from PubChem (CID 22670868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).