4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

C20H24N2O3S — CID 991971

IUPAC4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H24N2O3S/c1-13-10-15(20(3,4)5)11-14(2)19(13)26(24,25)22-12-18(23)21-16-8-6-7-9-17(16)22/h6-11H,12H2,1-5H3,(H,21,23)
InChIKeyZREHFBPNVPTQSW-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.75
Rot. Bonds2

About 4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 991971) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID991971
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H24N2O3S/c1-13-10-15(20(3,4)5)11-14(2)19(13)26(24,25)22-12-18(23)21-16-8-6-7-9-17(16)22/h6-11H,12H2,1-5H3,(H,21,23)
InChIKeyZREHFBPNVPTQSW-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 991971) is 4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is ZREHFBPNVPTQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13-10-15(20(3,4)5)11-14(2)19(13)26(24,25)22-12-18(23)21-16-8-6-7-9-17(16)22/h6-11H,12H2,1-5H3,(H,21,23).
What are the key properties of 4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 372.49 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 991971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).