N,N-dibutyl-8-methoxyquinoline-5-sulfonamide

C18H26N2O3S — CID 613863

IUPACN,N-dibutyl-8-methoxyquinoline-5-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C18H26N2O3S/c1-4-6-13-20(14-7-5-2)24(21,22)17-11-10-16(23-3)18-15(17)9-8-12-19-18/h8-12H,4-7,13-14H2,1-3H3
InChIKeyZFSHLCALKNPCRG-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.83
Rot. Bonds9

About N,N-dibutyl-8-methoxyquinoline-5-sulfonamide

N,N-dibutyl-8-methoxyquinoline-5-sulfonamide (PubChem CID 613863) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N,N-dibutyl-8-methoxyquinoline-5-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-8-methoxyquinoline-5-sulfonamide
PubChem CID613863
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN,N-dibutyl-8-methoxyquinoline-5-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C18H26N2O3S/c1-4-6-13-20(14-7-5-2)24(21,22)17-11-10-16(23-3)18-15(17)9-8-12-19-18/h8-12H,4-7,13-14H2,1-3H3
InChIKeyZFSHLCALKNPCRG-UHFFFAOYSA-N
XLogP3.83
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-8-methoxyquinoline-5-sulfonamide?
The IUPAC name of N,N-dibutyl-8-methoxyquinoline-5-sulfonamide (CID 613863) is N,N-dibutyl-8-methoxyquinoline-5-sulfonamide.
What is the SMILES notation for N,N-dibutyl-8-methoxyquinoline-5-sulfonamide?
The canonical SMILES for N,N-dibutyl-8-methoxyquinoline-5-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1ccc(OC)c2ncccc12.
What is the InChIKey of N,N-dibutyl-8-methoxyquinoline-5-sulfonamide?
The InChIKey is ZFSHLCALKNPCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-4-6-13-20(14-7-5-2)24(21,22)17-11-10-16(23-3)18-15(17)9-8-12-19-18/h8-12H,4-7,13-14H2,1-3H3.
What are the key properties of N,N-dibutyl-8-methoxyquinoline-5-sulfonamide?
N,N-dibutyl-8-methoxyquinoline-5-sulfonamide has a molecular weight of 350.48 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-8-methoxyquinoline-5-sulfonamide is sourced from PubChem (CID 613863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).