N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide

C15H13N3O2S — CID 118873479

IUPACN-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccncc2)c2cccnc12
InChIInChI=1S/C15H13N3O2S/c1-21(19,20)18-14-5-4-12(11-6-9-16-10-7-11)13-3-2-8-17-15(13)14/h2-10,18H,1H3
InChIKeyAYWKFWZEWGIUDG-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.67
Rot. Bonds3

About N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide

N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide (PubChem CID 118873479) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide
PubChem CID118873479
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccncc2)c2cccnc12
InChIInChI=1S/C15H13N3O2S/c1-21(19,20)18-14-5-4-12(11-6-9-16-10-7-11)13-3-2-8-17-15(13)14/h2-10,18H,1H3
InChIKeyAYWKFWZEWGIUDG-UHFFFAOYSA-N
XLogP2.67
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,10-Phenanthroline
CID 1318
1,10-Phenanthroline hydrate
CID 21226
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792
4-Methyl-1,10-phenanthroline
CID 93149
N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
8-(p-Toluenesulfonylamino)quinoline
CID 82533
8-(Methylsulfonylamino)quinoline
CID 151506
8-Aminoquinoline
CID 11359
5,6-Dimethyl-1,10-phenanthroline
CID 76357
2-Methyl-1,10-phenanthroline
CID 4913356
AG1295
CID 2048

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide?
The IUPAC name of N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide (CID 118873479) is N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide.
What is the SMILES notation for N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide?
The canonical SMILES for N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccncc2)c2cccnc12.
What is the InChIKey of N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide?
The InChIKey is AYWKFWZEWGIUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-21(19,20)18-14-5-4-12(11-6-9-16-10-7-11)13-3-2-8-17-15(13)14/h2-10,18H,1H3.
What are the key properties of N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide?
N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide has a molecular weight of 299.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide is sourced from PubChem (CID 118873479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).