N-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide

C17H15N3O2S — CID 118873473

IUPACN-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cccnc2)c2cccnc12)C1CC1
InChIInChI=1S/C17H15N3O2S/c21-23(22,13-5-6-13)20-16-8-7-14(12-3-1-9-18-11-12)15-4-2-10-19-17(15)16/h1-4,7-11,13,20H,5-6H2
InChIKeyBJVQJZKKPWENLT-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.20
Rot. Bonds4

About N-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide

N-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide (PubChem CID 118873473) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide
PubChem CID118873473
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cccnc2)c2cccnc12)C1CC1
InChIInChI=1S/C17H15N3O2S/c21-23(22,13-5-6-13)20-16-8-7-14(12-3-1-9-18-11-12)15-4-2-10-19-17(15)16/h1-4,7-11,13,20H,5-6H2
InChIKeyBJVQJZKKPWENLT-UHFFFAOYSA-N
XLogP3.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide?
The IUPAC name of N-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide (CID 118873473) is N-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide is O=S(=O)(Nc1ccc(-c2cccnc2)c2cccnc12)C1CC1.
What is the InChIKey of N-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide?
The InChIKey is BJVQJZKKPWENLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-23(22,13-5-6-13)20-16-8-7-14(12-3-1-9-18-11-12)15-4-2-10-19-17(15)16/h1-4,7-11,13,20H,5-6H2.
What are the key properties of N-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide?
N-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-3-ylquinolin-8-yl)cyclopropanesulfonamide is sourced from PubChem (CID 118873473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).