N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide

C14H19N3O3S — CID 106243751

IUPACN-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide
SMILESCOCC(N)CCNS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C14H19N3O3S/c1-20-10-11(15)7-9-17-21(18,19)14-6-2-5-13-12(14)4-3-8-16-13/h2-6,8,11,17H,7,9-10,15H2,1H3
InChIKeyWYSCSZFVXAMUTJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.88
Rot. Bonds7

About N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide

N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide (PubChem CID 106243751) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide
PubChem CID106243751
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide
SMILESCOCC(N)CCNS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C14H19N3O3S/c1-20-10-11(15)7-9-17-21(18,19)14-6-2-5-13-12(14)4-3-8-16-13/h2-6,8,11,17H,7,9-10,15H2,1H3
InChIKeyWYSCSZFVXAMUTJ-UHFFFAOYSA-N
XLogP0.88
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorobutyl)quinoline-5-sulfonamide
CID 113451724
N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide
CID 115752345
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628
N-(6-hydroxyhexyl)quinoline-5-sulfonamide
CID 103918476
4-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773649
N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide
CID 115701460
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
N-(3-amino-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 106243978
N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide
CID 114163152
5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide
CID 104774020

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide (CID 106243751) is N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide is COCC(N)CCNS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide?
The InChIKey is WYSCSZFVXAMUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-20-10-11(15)7-9-17-21(18,19)14-6-2-5-13-12(14)4-3-8-16-13/h2-6,8,11,17H,7,9-10,15H2,1H3.
What are the key properties of N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide?
N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide is sourced from PubChem (CID 106243751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).