1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine

C22H20FN3O4S — CID 174707738

IUPAC1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine
SMILESCOc1cccc(OC)c1.Nc1nc2ccccc2nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3O2S.C8H10O2/c15-9-5-7-10(8-6-9)21(19,20)14-13(16)17-11-3-1-2-4-12(11)18-14;1-9-7-4-3-5-8(6-7)10-2/h1-8H,(H2,16,17);3-6H,1-2H3
InChIKeyLKPNURZPNZLIRP-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.89
Rot. Bonds4

About 1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine

1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine (PubChem CID 174707738) has the molecular formula C22H20FN3O4S and a molecular weight of 441.48 g/mol. Its IUPAC name is 1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine.

Molecular Properties

Compound Name1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine
PubChem CID174707738
Molecular FormulaC22H20FN3O4S
Molecular Weight441.48 g/mol
Exact Mass441.12
IUPAC Name1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine
SMILESCOc1cccc(OC)c1.Nc1nc2ccccc2nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3O2S.C8H10O2/c15-9-5-7-10(8-6-9)21(19,20)14-13(16)17-11-3-1-2-4-12(11)18-14;1-9-7-4-3-5-8(6-7)10-2/h1-8H,(H2,16,17);3-6H,1-2H3
InChIKeyLKPNURZPNZLIRP-UHFFFAOYSA-N
XLogP3.89
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylquinoxalin-2-amine
CID 141267265
2-chloro-3-(4-fluorophenyl)sulfonylquinoxaline
CID 141267279
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826852
N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
CID 56677086
2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene
CID 132609514
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
CID 56663385
7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline
CID 91316778
3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine
CID 102988705
3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
CID 141168476
3-(benzenesulfonyl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56680379
2,3-bis(benzenesulfonyl)quinoxaline
CID 6612515
(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167384

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine?
The IUPAC name of 1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine (CID 174707738) is 1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine.
What is the SMILES notation for 1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine?
The canonical SMILES for 1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine is COc1cccc(OC)c1.Nc1nc2ccccc2nc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine?
The InChIKey is LKPNURZPNZLIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S.C8H10O2/c15-9-5-7-10(8-6-9)21(19,20)14-13(16)17-11-3-1-2-4-12(11)18-14;1-9-7-4-3-5-8(6-7)10-2/h1-8H,(H2,16,17);3-6H,1-2H3.
What are the key properties of 1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine?
1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine has a molecular weight of 441.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxybenzene;3-(4-fluorophenyl)sulfonylquinoxalin-2-amine is sourced from PubChem (CID 174707738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).