1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one

C18H20N2O4S — CID 110669678

IUPAC1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CC(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C18H20N2O4S/c1-13(2)24-14-8-10-15(11-9-14)25(22,23)20-12-18(21)19(3)16-6-4-5-7-17(16)20/h4-11,13H,12H2,1-3H3
InChIKeyFJLCGSVCHFEISQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.65
Rot. Bonds4

About 1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one

1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one (PubChem CID 110669678) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one
PubChem CID110669678
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CC(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C18H20N2O4S/c1-13(2)24-14-8-10-15(11-9-14)25(22,23)20-12-18(21)19(3)16-6-4-5-7-17(16)20/h4-11,13H,12H2,1-3H3
InChIKeyFJLCGSVCHFEISQ-UHFFFAOYSA-N
XLogP2.65
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one?
The IUPAC name of 1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one (CID 110669678) is 1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one.
What is the SMILES notation for 1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one?
The canonical SMILES for 1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one is CC(C)Oc1ccc(S(=O)(=O)N2CC(=O)N(C)c3ccccc32)cc1.
What is the InChIKey of 1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one?
The InChIKey is FJLCGSVCHFEISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13(2)24-14-8-10-15(11-9-14)25(22,23)20-12-18(21)19(3)16-6-4-5-7-17(16)20/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one?
1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one has a molecular weight of 360.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one is sourced from PubChem (CID 110669678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).