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

C14H9ClFN3O2S — CID 3455851

IUPACN-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H9ClFN3O2S/c15-13-14(18-12-4-2-1-3-11(12)17-13)19-22(20,21)10-7-5-9(16)6-8-10/h1-8H,(H,18,19)
InChIKeyZWTDWIMWUJLLOB-UHFFFAOYSA-N
MW337.76 g/mol
LogP3.22
Rot. Bonds3

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

N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 3455851) has the molecular formula C14H9ClFN3O2S and a molecular weight of 337.76 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide
PubChem CID3455851
Molecular FormulaC14H9ClFN3O2S
Molecular Weight337.76 g/mol
Exact Mass337.01
IUPAC NameN-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H9ClFN3O2S/c15-13-14(18-12-4-2-1-3-11(12)17-13)19-22(20,21)10-7-5-9(16)6-8-10/h1-8H,(H,18,19)
InChIKeyZWTDWIMWUJLLOB-UHFFFAOYSA-N
XLogP3.22
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide (CID 3455851) is N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is ZWTDWIMWUJLLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O2S/c15-13-14(18-12-4-2-1-3-11(12)17-13)19-22(20,21)10-7-5-9(16)6-8-10/h1-8H,(H,18,19).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide?
N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 337.76 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroquinoxalin-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3455851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).