1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline

C16H17FN2O2S — CID 110715152

IUPAC1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H17FN2O2S/c1-18-10-11-19(16-5-3-2-4-15(16)18)22(20,21)12-13-6-8-14(17)9-7-13/h2-9H,10-12H2,1H3
InChIKeyFBEWVMCMIMUHNK-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.61
Rot. Bonds3

About 1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline

1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline (PubChem CID 110715152) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline
PubChem CID110715152
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H17FN2O2S/c1-18-10-11-19(16-5-3-2-4-15(16)18)22(20,21)12-13-6-8-14(17)9-7-13/h2-9H,10-12H2,1H3
InChIKeyFBEWVMCMIMUHNK-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline (CID 110715152) is 1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline is CN1CCN(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is FBEWVMCMIMUHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-18-10-11-19(16-5-3-2-4-15(16)18)22(20,21)12-13-6-8-14(17)9-7-13/h2-9H,10-12H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline?
1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 320.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 110715152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).