6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine

C17H14Cl2FN3O2S — CID 22341218

IUPAC6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine
SMILESCS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1NCCc1cccc(F)c1
InChIInChI=1S/C17H14Cl2FN3O2S/c1-26(24,25)17-16(21-6-5-10-3-2-4-11(20)7-10)22-14-8-12(18)13(19)9-15(14)23-17/h2-4,7-9H,5-6H2,1H3,(H,21,22)
InChIKeyHKDBPLJTRWNRDJ-UHFFFAOYSA-N
MW414.29 g/mol
LogP4.13
Rot. Bonds5

About 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine

6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine (PubChem CID 22341218) has the molecular formula C17H14Cl2FN3O2S and a molecular weight of 414.29 g/mol. Its IUPAC name is 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine.

Molecular Properties

Compound Name6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine
PubChem CID22341218
Molecular FormulaC17H14Cl2FN3O2S
Molecular Weight414.29 g/mol
Exact Mass413.02
IUPAC Name6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine
SMILESCS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1NCCc1cccc(F)c1
InChIInChI=1S/C17H14Cl2FN3O2S/c1-26(24,25)17-16(21-6-5-10-3-2-4-11(20)7-10)22-14-8-12(18)13(19)9-15(14)23-17/h2-4,7-9H,5-6H2,1H3,(H,21,22)
InChIKeyHKDBPLJTRWNRDJ-UHFFFAOYSA-N
XLogP4.13
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine?
The IUPAC name of 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine (CID 22341218) is 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine.
What is the SMILES notation for 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine?
The canonical SMILES for 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine is CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1NCCc1cccc(F)c1.
What is the InChIKey of 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine?
The InChIKey is HKDBPLJTRWNRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN3O2S/c1-26(24,25)17-16(21-6-5-10-3-2-4-11(20)7-10)22-14-8-12(18)13(19)9-15(14)23-17/h2-4,7-9H,5-6H2,1H3,(H,21,22).
What are the key properties of 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine?
6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine has a molecular weight of 414.29 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine is sourced from PubChem (CID 22341218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).