N-(2-methoxyethyl)quinoline-8-sulfonamide

C12H14N2O3S — CID 3452964

IUPACN-(2-methoxyethyl)quinoline-8-sulfonamide
SMILESCOCCNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C12H14N2O3S/c1-17-9-8-14-18(15,16)11-6-2-4-10-5-3-7-13-12(10)11/h2-7,14H,8-9H2,1H3
InChIKeyUGBNNUMOKXMDSR-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.16
Rot. Bonds5

About N-(2-methoxyethyl)quinoline-8-sulfonamide

N-(2-methoxyethyl)quinoline-8-sulfonamide (PubChem CID 3452964) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)quinoline-8-sulfonamide
PubChem CID3452964
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(2-methoxyethyl)quinoline-8-sulfonamide
SMILESCOCCNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C12H14N2O3S/c1-17-9-8-14-18(15,16)11-6-2-4-10-5-3-7-13-12(10)11/h2-7,14H,8-9H2,1H3
InChIKeyUGBNNUMOKXMDSR-UHFFFAOYSA-N
XLogP1.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)quinoline-8-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)quinoline-8-sulfonamide (CID 3452964) is N-(2-methoxyethyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)quinoline-8-sulfonamide is COCCNS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2-methoxyethyl)quinoline-8-sulfonamide?
The InChIKey is UGBNNUMOKXMDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-17-9-8-14-18(15,16)11-6-2-4-10-5-3-7-13-12(10)11/h2-7,14H,8-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)quinoline-8-sulfonamide?
N-(2-methoxyethyl)quinoline-8-sulfonamide has a molecular weight of 266.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 3452964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).