N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide

C15H20N2O3S — CID 115701460

IUPACN-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide
SMILESCCC(CCO)CNS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C15H20N2O3S/c1-2-12(8-10-18)11-17-21(19,20)15-7-3-6-14-13(15)5-4-9-16-14/h3-7,9,12,17-18H,2,8,10-11H2,1H3
InChIKeyGUNVGSMSZDPKMG-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.92
Rot. Bonds7

About N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide

N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide (PubChem CID 115701460) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide
PubChem CID115701460
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide
SMILESCCC(CCO)CNS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C15H20N2O3S/c1-2-12(8-10-18)11-17-21(19,20)15-7-3-6-14-13(15)5-4-9-16-14/h3-7,9,12,17-18H,2,8,10-11H2,1H3
InChIKeyGUNVGSMSZDPKMG-UHFFFAOYSA-N
XLogP1.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
CID 97096071
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
N-(6-hydroxyhexyl)quinoline-5-sulfonamide
CID 103918476
(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104933783
(2S)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104934981
N-(3-chlorobutyl)quinoline-5-sulfonamide
CID 113451724
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoline-5-sulfonamide
CID 114749841
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide
CID 115752345
N-[(2S)-2-ethyl-4-hydroxybutyl]-2-methyl-3-nitrobenzenesulfonamide
CID 96538006

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide?
The IUPAC name of N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide (CID 115701460) is N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide.
What is the SMILES notation for N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide?
The canonical SMILES for N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide is CCC(CCO)CNS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide?
The InChIKey is GUNVGSMSZDPKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-12(8-10-18)11-17-21(19,20)15-7-3-6-14-13(15)5-4-9-16-14/h3-7,9,12,17-18H,2,8,10-11H2,1H3.
What are the key properties of N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide?
N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide is sourced from PubChem (CID 115701460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).