N-butylsulfonylquinoline-8-carboxamide

C14H16N2O3S — CID 102587475

IUPACN-butylsulfonylquinoline-8-carboxamide
SMILESCCCCS(=O)(=O)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C14H16N2O3S/c1-2-3-10-20(18,19)16-14(17)12-8-4-6-11-7-5-9-15-13(11)12/h4-9H,2-3,10H2,1H3,(H,16,17)
InChIKeyUEJJJKNJZREQLX-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.09
Rot. Bonds5

About N-butylsulfonylquinoline-8-carboxamide

N-butylsulfonylquinoline-8-carboxamide (PubChem CID 102587475) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-butylsulfonylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-butylsulfonylquinoline-8-carboxamide
PubChem CID102587475
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-butylsulfonylquinoline-8-carboxamide
SMILESCCCCS(=O)(=O)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C14H16N2O3S/c1-2-3-10-20(18,19)16-14(17)12-8-4-6-11-7-5-9-15-13(11)12/h4-9H,2-3,10H2,1H3,(H,16,17)
InChIKeyUEJJJKNJZREQLX-UHFFFAOYSA-N
XLogP2.09
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butylsulfonylisoquinoline-1-carboxamide
CID 75371415
N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
CID 113063208
N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
CID 119641919
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
1-[(4-chloroisoquinolin-3-yl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-4-carboxamide
CID 18467566
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
CID 24667862
palladium;quinoline-8-carboxylic acid
CID 174945118
N-(3-cyanopentan-3-yl)quinoline-8-carboxamide
CID 62849554
N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide
CID 103843875
N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653
N-(2-cyanobutan-2-yl)quinoline-8-carboxamide
CID 62849552

Frequently Asked Questions

What is the IUPAC name of N-butylsulfonylquinoline-8-carboxamide?
The IUPAC name of N-butylsulfonylquinoline-8-carboxamide (CID 102587475) is N-butylsulfonylquinoline-8-carboxamide.
What is the SMILES notation for N-butylsulfonylquinoline-8-carboxamide?
The canonical SMILES for N-butylsulfonylquinoline-8-carboxamide is CCCCS(=O)(=O)NC(=O)c1cccc2cccnc12.
What is the InChIKey of N-butylsulfonylquinoline-8-carboxamide?
The InChIKey is UEJJJKNJZREQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-3-10-20(18,19)16-14(17)12-8-4-6-11-7-5-9-15-13(11)12/h4-9H,2-3,10H2,1H3,(H,16,17).
What are the key properties of N-butylsulfonylquinoline-8-carboxamide?
N-butylsulfonylquinoline-8-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfonylquinoline-8-carboxamide is sourced from PubChem (CID 102587475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).