N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide

C15H11ClFN3O2S — CID 4962629

IUPACN-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C15H11ClFN3O2S/c1-9-8-10(17)6-7-13(9)23(21,22)20-15-14(16)18-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H,19,20)
InChIKeyMCIYTWUZSATDKT-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.53
Rot. Bonds3

About N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide

N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 4962629) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID4962629
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC NameN-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C15H11ClFN3O2S/c1-9-8-10(17)6-7-13(9)23(21,22)20-15-14(16)18-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H,19,20)
InChIKeyMCIYTWUZSATDKT-UHFFFAOYSA-N
XLogP3.53
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.53
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-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide (CID 4962629) is N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is MCIYTWUZSATDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c1-9-8-10(17)6-7-13(9)23(21,22)20-15-14(16)18-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H,19,20).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide?
N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 351.79 g/mol, XLogP of 3.53, 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-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 4962629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).