(3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one

C19H22N2O3S — CID 7100388

IUPAC(3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22N2O3S/c1-13-18(22)20-16-7-5-6-8-17(16)21(13)25(23,24)15-11-9-14(10-12-15)19(2,3)4/h5-13H,1-4H3,(H,20,22)/t13-/m1/s1
InChIKeyKDRSIJAIKCHYDE-CYBMUJFWSA-N
MW358.46 g/mol
LogP3.52
Rot. Bonds2

About (3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one

(3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 7100388) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID7100388
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22N2O3S/c1-13-18(22)20-16-7-5-6-8-17(16)21(13)25(23,24)15-11-9-14(10-12-15)19(2,3)4/h5-13H,1-4H3,(H,20,22)/t13-/m1/s1
InChIKeyKDRSIJAIKCHYDE-CYBMUJFWSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(3-nitrophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 23119813
5-(4-bromophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 3847783
(4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 6976078
(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
1-(4-tert-butylphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 55598551
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline
CID 10685557
(3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 132603334
8-(4-tert-butylphenyl)sulfonyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 25192695
2-[1-(4-chlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21235070
(3R)-4-(2,4-dichlorophenyl)sulfonyl-3-propyl-1,3-dihydroquinoxalin-2-one
CID 7101918
N-(2-ethoxyphenyl)-2-[(2S)-1-(4-methylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 981741

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one (CID 7100388) is (3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one is C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is KDRSIJAIKCHYDE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-18(22)20-16-7-5-6-8-17(16)21(13)25(23,24)15-11-9-14(10-12-15)19(2,3)4/h5-13H,1-4H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one?
(3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 358.46 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 7100388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).