1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline

C18H22N2O2S — CID 46382906

IUPAC1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C)c3ccccc32)cc1
InChIInChI=1S/C18H22N2O2S/c1-3-6-15-9-11-16(12-10-15)23(21,22)20-14-13-19(2)17-7-4-5-8-18(17)20/h4-5,7-12H,3,6,13-14H2,1-2H3
InChIKeyIVARWMYSMATKMG-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.28
Rot. Bonds4

About 1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline

1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline (PubChem CID 46382906) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline
PubChem CID46382906
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C)c3ccccc32)cc1
InChIInChI=1S/C18H22N2O2S/c1-3-6-15-9-11-16(12-10-15)23(21,22)20-14-13-19(2)17-7-4-5-8-18(17)20/h4-5,7-12H,3,6,13-14H2,1-2H3
InChIKeyIVARWMYSMATKMG-UHFFFAOYSA-N
XLogP3.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline (CID 46382906) is 1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline is CCCc1ccc(S(=O)(=O)N2CCN(C)c3ccccc32)cc1.
What is the InChIKey of 1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline?
The InChIKey is IVARWMYSMATKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-6-15-9-11-16(12-10-15)23(21,22)20-14-13-19(2)17-7-4-5-8-18(17)20/h4-5,7-12H,3,6,13-14H2,1-2H3.
What are the key properties of 1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline?
1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline has a molecular weight of 330.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 46382906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).