4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline

C22H20F2N2O3S — CID 175205026

IUPAC4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline
SMILESCOc1ccc2c(c1)N(Cc1ccccc1)CCN2S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C22H20F2N2O3S/c1-29-17-10-11-20-21(14-17)25(15-16-6-3-2-4-7-16)12-13-26(20)30(27,28)22-18(23)8-5-9-19(22)24/h2-11,14H,12-13,15H2,1H3
InChIKeyZVYYFFLUVFUZOC-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.19
Rot. Bonds5

About 4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline

4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline (PubChem CID 175205026) has the molecular formula C22H20F2N2O3S and a molecular weight of 430.48 g/mol. Its IUPAC name is 4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline
PubChem CID175205026
Molecular FormulaC22H20F2N2O3S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline
SMILESCOc1ccc2c(c1)N(Cc1ccccc1)CCN2S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C22H20F2N2O3S/c1-29-17-10-11-20-21(14-17)25(15-16-6-3-2-4-7-16)12-13-26(20)30(27,28)22-18(23)8-5-9-19(22)24/h2-11,14H,12-13,15H2,1H3
InChIKeyZVYYFFLUVFUZOC-UHFFFAOYSA-N
XLogP4.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline
CID 175211825
4-benzyl-7-methoxy-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 3808119
2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 71771055
1-(2-fluorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
CID 8749202
1-cyclopropyl-4-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 110715218
(1-benzyl-2,3-dihydroindol-5-yl) N-[(4-methoxyphenyl)methyl]carbamate
CID 86659867
1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 46098993
1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 54748179
1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663002
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one
CID 595498
1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one
CID 23363964

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline?
The IUPAC name of 4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline (CID 175205026) is 4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline.
What is the SMILES notation for 4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline?
The canonical SMILES for 4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline is COc1ccc2c(c1)N(Cc1ccccc1)CCN2S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline?
The InChIKey is ZVYYFFLUVFUZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S/c1-29-17-10-11-20-21(14-17)25(15-16-6-3-2-4-7-16)12-13-26(20)30(27,28)22-18(23)8-5-9-19(22)24/h2-11,14H,12-13,15H2,1H3.
What are the key properties of 4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline?
4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline has a molecular weight of 430.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2,6-difluorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinoxaline is sourced from PubChem (CID 175205026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).