N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine

C21H16FN3O3S — CID 56680421

IUPACN-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
SMILESCOc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN3O3S/c1-28-16-10-12-17(13-11-16)29(26,27)21-20(23-15-8-6-14(22)7-9-15)24-18-4-2-3-5-19(18)25-21/h2-13H,1H3,(H,23,24)
InChIKeyKIUWHDPBBATYFB-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.35
Rot. Bonds5

About N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine

N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine (PubChem CID 56680421) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
PubChem CID56680421
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC NameN-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
SMILESCOc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FN3O3S/c1-28-16-10-12-17(13-11-16)29(26,27)21-20(23-15-8-6-14(22)7-9-15)24-18-4-2-3-5-19(18)25-21/h2-13H,1H3,(H,23,24)
InChIKeyKIUWHDPBBATYFB-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 N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine (CID 56680421) is N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine is COc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine?
The InChIKey is KIUWHDPBBATYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c1-28-16-10-12-17(13-11-16)29(26,27)21-20(23-15-8-6-14(22)7-9-15)24-18-4-2-3-5-19(18)25-21/h2-13H,1H3,(H,23,24).
What are the key properties of N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine?
N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-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 N-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine is sourced from PubChem (CID 56680421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).