3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine

C25H21FN4O2S — CID 2017713

IUPAC3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1CCCc1ccccc1
InChIInChI=1S/C25H21FN4O2S/c26-18-12-14-19(15-13-18)33(31,32)23-22-25(29-21-11-5-4-10-20(21)28-22)30(24(23)27)16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-15H,6,9,16,27H2
InChIKeyVZLQYBGSONCPBA-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.77
Rot. Bonds6

About 3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine

3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 2017713) has the molecular formula C25H21FN4O2S and a molecular weight of 460.53 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID2017713
Molecular FormulaC25H21FN4O2S
Molecular Weight460.53 g/mol
Exact Mass460.14
IUPAC Name3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1CCCc1ccccc1
InChIInChI=1S/C25H21FN4O2S/c26-18-12-14-19(15-13-18)33(31,32)23-22-25(29-21-11-5-4-10-20(21)28-22)30(24(23)27)16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-15H,6,9,16,27H2
InChIKeyVZLQYBGSONCPBA-UHFFFAOYSA-N
XLogP4.77
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine 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 3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine (CID 2017713) is 3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine is Nc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1CCCc1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is VZLQYBGSONCPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2S/c26-18-12-14-19(15-13-18)33(31,32)23-22-25(29-21-11-5-4-10-20(21)28-22)30(24(23)27)16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-15H,6,9,16,27H2.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine?
3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 460.53 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-1-(3-phenylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 2017713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).