N-(1-cyanobutyl)quinoline-5-sulfonamide

C14H15N3O2S — CID 115755821

IUPACN-(1-cyanobutyl)quinoline-5-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C14H15N3O2S/c1-2-5-11(10-15)17-20(18,19)14-8-3-7-13-12(14)6-4-9-16-13/h3-4,6-9,11,17H,2,5H2,1H3
InChIKeyFLGYETFWHLILTG-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.21
Rot. Bonds5

About N-(1-cyanobutyl)quinoline-5-sulfonamide

N-(1-cyanobutyl)quinoline-5-sulfonamide (PubChem CID 115755821) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(1-cyanobutyl)quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)quinoline-5-sulfonamide
PubChem CID115755821
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(1-cyanobutyl)quinoline-5-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C14H15N3O2S/c1-2-5-11(10-15)17-20(18,19)14-8-3-7-13-12(14)6-4-9-16-13/h3-4,6-9,11,17H,2,5H2,1H3
InChIKeyFLGYETFWHLILTG-UHFFFAOYSA-N
XLogP2.21
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanobutyl)naphthalene-1-sulfonamide
CID 115755819
N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
CID 97096071
2-(quinolin-5-ylsulfonylamino)pentanethioamide
CID 104773636
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
2-bromo-N-(1-cyanobutyl)benzenesulfonamide
CID 61123856
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279
(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
CID 94812620
(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104933783
(2S)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104934981
N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide
CID 86780686

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)quinoline-5-sulfonamide?
The IUPAC name of N-(1-cyanobutyl)quinoline-5-sulfonamide (CID 115755821) is N-(1-cyanobutyl)quinoline-5-sulfonamide.
What is the SMILES notation for N-(1-cyanobutyl)quinoline-5-sulfonamide?
The canonical SMILES for N-(1-cyanobutyl)quinoline-5-sulfonamide is CCCC(C#N)NS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-(1-cyanobutyl)quinoline-5-sulfonamide?
The InChIKey is FLGYETFWHLILTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-2-5-11(10-15)17-20(18,19)14-8-3-7-13-12(14)6-4-9-16-13/h3-4,6-9,11,17H,2,5H2,1H3.
What are the key properties of N-(1-cyanobutyl)quinoline-5-sulfonamide?
N-(1-cyanobutyl)quinoline-5-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)quinoline-5-sulfonamide is sourced from PubChem (CID 115755821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).