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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Related Compounds

1-Benzyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 2021006
4-Azanyl-6-[[(1~{s})-1-[6-Fluoranyl-1-(3-Methylsulfonylphenyl)benzimidazol-2-Yl]ethyl]amino]pyrimidine-5-Carbonitrile
CID 58459197
1-(4-fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 1915791
1-butyl-3-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 1886648
N-[1-Butyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-benzenesulfonamide
CID 1930124
N-[1-Allyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-benzenesulfonamide
CID 1942142
N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide
CID 2335503
4-[[1-(4-Fluorobutyl)benzimidazol-2-yl]methyl]-1,1-dioxo-1lambda6,4-benzothiazin-3-one
CID 23516963
4-amino-6-[[(1S)-1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 58459190
4-amino-6-[[(1S)-1-[6-fluoro-1-(2-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 58459230
4-amino-6-[[(1R)-1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 58459282
9-[1-(1,1-Dioxo-2-phenyl-1lambda6,2,4-benzothiadiazin-3-yl)ethyl]purin-6-amine
CID 130337561

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).