3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine

C21H16FN3O3S — CID 56670222

IUPAC3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN3O3S/c1-28-16-10-8-15(9-11-16)23-20-21(25-19-5-3-2-4-18(19)24-20)29(26,27)17-12-6-14(22)7-13-17/h2-13H,1H3,(H,23,24)
InChIKeyCDLSFGHWEUZXTF-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.35
Rot. Bonds5

About 3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine

3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine (PubChem CID 56670222) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine
PubChem CID56670222
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC Name3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN3O3S/c1-28-16-10-8-15(9-11-16)23-20-21(25-19-5-3-2-4-18(19)24-20)29(26,27)17-12-6-14(22)7-13-17/h2-13H,1H3,(H,23,24)
InChIKeyCDLSFGHWEUZXTF-UHFFFAOYSA-N
XLogP4.35
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine (CID 56670222) is 3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine is COc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine?
The InChIKey is CDLSFGHWEUZXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c1-28-16-10-8-15(9-11-16)23-20-21(25-19-5-3-2-4-18(19)24-20)29(26,27)17-12-6-14(22)7-13-17/h2-13H,1H3,(H,23,24).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine?
3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine has a molecular weight of 409.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 56670222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).