N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide

C24H23N3O6S2 — CID 70654333

IUPACN-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide
SMILESCOc1ccc(-c2nc3ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23N3O6S2/c1-32-19-10-5-16(6-11-19)23-24(17-7-12-20(33-2)13-8-17)26-22-15-18(9-14-21(22)25-23)27(34(3,28)29)35(4,30)31/h5-15H,1-4H3
InChIKeyVIHVPWQEUXZDFS-UHFFFAOYSA-N
MW513.60 g/mol
LogP3.71
Rot. Bonds7

About N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide

N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide (PubChem CID 70654333) has the molecular formula C24H23N3O6S2 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide
PubChem CID70654333
Molecular FormulaC24H23N3O6S2
Molecular Weight513.60 g/mol
Exact Mass513.10
IUPAC NameN-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide
SMILESCOc1ccc(-c2nc3ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23N3O6S2/c1-32-19-10-5-16(6-11-19)23-24(17-7-12-20(33-2)13-8-17)26-22-15-18(9-14-21(22)25-23)27(34(3,28)29)35(4,30)31/h5-15H,1-4H3
InChIKeyVIHVPWQEUXZDFS-UHFFFAOYSA-N
XLogP3.71
TPSA115.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide (CID 70654333) is N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide is COc1ccc(-c2nc3ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide?
The InChIKey is VIHVPWQEUXZDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S2/c1-32-19-10-5-16(6-11-19)23-24(17-7-12-20(33-2)13-8-17)26-22-15-18(9-14-21(22)25-23)27(34(3,28)29)35(4,30)31/h5-15H,1-4H3.
What are the key properties of N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide?
N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide has a molecular weight of 513.60 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 70654333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).