1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

C22H21FN4O2S — CID 2012095

IUPAC1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1C1CCCCC1
InChIInChI=1S/C22H21FN4O2S/c23-14-10-12-16(13-11-14)30(28,29)20-19-22(26-18-9-5-4-8-17(18)25-19)27(21(20)24)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,24H2
InChIKeyLYOOPHMICZLNSL-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.64
Rot. Bonds3

About 1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 2012095) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID2012095
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1C1CCCCC1
InChIInChI=1S/C22H21FN4O2S/c23-14-10-12-16(13-11-14)30(28,29)20-19-22(26-18-9-5-4-8-17(18)25-19)27(21(20)24)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,24H2
InChIKeyLYOOPHMICZLNSL-UHFFFAOYSA-N
XLogP4.64
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (CID 2012095) is 1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is Nc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is LYOOPHMICZLNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c23-14-10-12-16(13-11-14)30(28,29)20-19-22(26-18-9-5-4-8-17(18)25-19)27(21(20)24)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7,24H2.
What are the key properties of 1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 424.50 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 2012095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).