N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide

C18H18FN3O3S — CID 2405355

IUPACN-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
SMILESCCCCOc1nc2ccccc2nc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c1-2-3-12-25-18-17(20-15-6-4-5-7-16(15)21-18)22-26(23,24)14-10-8-13(19)9-11-14/h4-11H,2-3,12H2,1H3,(H,20,22)
InChIKeyHLTDXFVSSJKSAR-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.75
Rot. Bonds7

About N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide

N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 2405355) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
PubChem CID2405355
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC NameN-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
SMILESCCCCOc1nc2ccccc2nc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c1-2-3-12-25-18-17(20-15-6-4-5-7-16(15)21-18)22-26(23,24)14-10-8-13(19)9-11-14/h4-11H,2-3,12H2,1H3,(H,20,22)
InChIKeyHLTDXFVSSJKSAR-UHFFFAOYSA-N
XLogP3.75
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxy-5-phenylpyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 58584629
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398916
4-fluoro-N-[3-(pyridin-3-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075789
N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 2303591
4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076027
N-[3-(2-cyclopropylethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075854
4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 3274197
4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075922
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919
4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 23076281
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide (CID 2405355) is N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide is CCCCOc1nc2ccccc2nc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is HLTDXFVSSJKSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-2-3-12-25-18-17(20-15-6-4-5-7-16(15)21-18)22-26(23,24)14-10-8-13(19)9-11-14/h4-11H,2-3,12H2,1H3,(H,20,22).
What are the key properties of N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide?
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2405355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).