(7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide

C11H11ClFN3O4S — CID 86753465

IUPAC(7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide
SMILESCOc1nc2cc(Cl)c(F)c(CS(N)(=O)=O)c2nc1OC
InChIInChI=1S/C11H11ClFN3O4S/c1-19-10-11(20-2)16-9-5(4-21(14,17)18)8(13)6(12)3-7(9)15-10/h3H,4H2,1-2H3,(H2,14,17,18)
InChIKeyCNJKOYRBHBKFLI-UHFFFAOYSA-N
MW335.74 g/mol
LogP1.23
Rot. Bonds4

About (7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide

(7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide (PubChem CID 86753465) has the molecular formula C11H11ClFN3O4S and a molecular weight of 335.74 g/mol. Its IUPAC name is (7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide.

Molecular Properties

Compound Name(7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide
PubChem CID86753465
Molecular FormulaC11H11ClFN3O4S
Molecular Weight335.74 g/mol
Exact Mass335.01
IUPAC Name(7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide
SMILESCOc1nc2cc(Cl)c(F)c(CS(N)(=O)=O)c2nc1OC
InChIInChI=1S/C11H11ClFN3O4S/c1-19-10-11(20-2)16-9-5(4-21(14,17)18)8(13)6(12)3-7(9)15-10/h3H,4H2,1-2H3,(H2,14,17,18)
InChIKeyCNJKOYRBHBKFLI-UHFFFAOYSA-N
XLogP1.23
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide?
The IUPAC name of (7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide (CID 86753465) is (7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide.
What is the SMILES notation for (7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide?
The canonical SMILES for (7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide is COc1nc2cc(Cl)c(F)c(CS(N)(=O)=O)c2nc1OC.
What is the InChIKey of (7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide?
The InChIKey is CNJKOYRBHBKFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O4S/c1-19-10-11(20-2)16-9-5(4-21(14,17)18)8(13)6(12)3-7(9)15-10/h3H,4H2,1-2H3,(H2,14,17,18).
What are the key properties of (7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide?
(7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide has a molecular weight of 335.74 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-6-fluoro-2,3-dimethoxyquinoxalin-5-yl)methanesulfonamide is sourced from PubChem (CID 86753465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).