N-butyl-8-methoxyquinoline-5-sulfonamide

C14H18N2O3S — CID 626312

IUPACN-butyl-8-methoxyquinoline-5-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C14H18N2O3S/c1-3-4-10-16-20(17,18)13-8-7-12(19-2)14-11(13)6-5-9-15-14/h5-9,16H,3-4,10H2,1-2H3
InChIKeyHTLGDQYGZISUMN-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.32
Rot. Bonds6

About N-butyl-8-methoxyquinoline-5-sulfonamide

N-butyl-8-methoxyquinoline-5-sulfonamide (PubChem CID 626312) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-butyl-8-methoxyquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-8-methoxyquinoline-5-sulfonamide
PubChem CID626312
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-butyl-8-methoxyquinoline-5-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C14H18N2O3S/c1-3-4-10-16-20(17,18)13-8-7-12(19-2)14-11(13)6-5-9-15-14/h5-9,16H,3-4,10H2,1-2H3
InChIKeyHTLGDQYGZISUMN-UHFFFAOYSA-N
XLogP2.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.32
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-butyl-8-methoxyquinoline-5-sulfonamide?
The IUPAC name of N-butyl-8-methoxyquinoline-5-sulfonamide (CID 626312) is N-butyl-8-methoxyquinoline-5-sulfonamide.
What is the SMILES notation for N-butyl-8-methoxyquinoline-5-sulfonamide?
The canonical SMILES for N-butyl-8-methoxyquinoline-5-sulfonamide is CCCCNS(=O)(=O)c1ccc(OC)c2ncccc12.
What is the InChIKey of N-butyl-8-methoxyquinoline-5-sulfonamide?
The InChIKey is HTLGDQYGZISUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-4-10-16-20(17,18)13-8-7-12(19-2)14-11(13)6-5-9-15-14/h5-9,16H,3-4,10H2,1-2H3.
What are the key properties of N-butyl-8-methoxyquinoline-5-sulfonamide?
N-butyl-8-methoxyquinoline-5-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-methoxyquinoline-5-sulfonamide is sourced from PubChem (CID 626312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).