6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline

C12H17FN2O2S — CID 86819117

IUPAC6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline
SMILESCCCN1CCN(S(C)(=O)=O)c2cc(F)ccc21
InChIInChI=1S/C12H17FN2O2S/c1-3-6-14-7-8-15(18(2,16)17)12-9-10(13)4-5-11(12)14/h4-5,9H,3,6-8H2,1-2H3
InChIKeyUJXHDRNSXVPNBR-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.82
Rot. Bonds3

About 6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline

6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline (PubChem CID 86819117) has the molecular formula C12H17FN2O2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline
PubChem CID86819117
Molecular FormulaC12H17FN2O2S
Molecular Weight272.35 g/mol
Exact Mass272.10
IUPAC Name6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline
SMILESCCCN1CCN(S(C)(=O)=O)c2cc(F)ccc21
InChIInChI=1S/C12H17FN2O2S/c1-3-6-14-7-8-15(18(2,16)17)12-9-10(13)4-5-11(12)14/h4-5,9H,3,6-8H2,1-2H3
InChIKeyUJXHDRNSXVPNBR-UHFFFAOYSA-N
XLogP1.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline?
The IUPAC name of 6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline (CID 86819117) is 6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline?
The canonical SMILES for 6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline is CCCN1CCN(S(C)(=O)=O)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline?
The InChIKey is UJXHDRNSXVPNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-3-6-14-7-8-15(18(2,16)17)12-9-10(13)4-5-11(12)14/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of 6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline?
6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline has a molecular weight of 272.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methylsulfonyl-1-propyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 86819117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).