4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one

C18H20N2O3S — CID 110713560

IUPAC4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one
SMILESCc1ccccc1S(=O)(=O)N1CC(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-13(2)20-16-10-6-5-9-15(16)19(12-18(20)21)24(22,23)17-11-7-4-8-14(17)3/h4-11,13H,12H2,1-3H3
InChIKeyMRNCVZFYZMJFSK-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.95
Rot. Bonds3

About 4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one

4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one (PubChem CID 110713560) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one
PubChem CID110713560
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one
SMILESCc1ccccc1S(=O)(=O)N1CC(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-13(2)20-16-10-6-5-9-15(16)19(12-18(20)21)24(22,23)17-11-7-4-8-14(17)3/h4-11,13H,12H2,1-3H3
InChIKeyMRNCVZFYZMJFSK-UHFFFAOYSA-N
XLogP2.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872831
4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one
CID 110713479
1-(2-tert-butylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113076530
3-methylidene-1-(2-methylphenyl)sulfonylpyrrolidine-2,5-dione
CID 139892071
1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one
CID 110669678
7,7-dimethyl-2-(2-methylphenyl)sulfonyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one
CID 110424374
1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 112627615
1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one
CID 110669659
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CID 19078788

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one?
The IUPAC name of 4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one (CID 110713560) is 4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one.
What is the SMILES notation for 4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one?
The canonical SMILES for 4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one is Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(C)C)c2ccccc21.
What is the InChIKey of 4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one?
The InChIKey is MRNCVZFYZMJFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13(2)20-16-10-6-5-9-15(16)19(12-18(20)21)24(22,23)17-11-7-4-8-14(17)3/h4-11,13H,12H2,1-3H3.
What are the key properties of 4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one?
4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one has a molecular weight of 344.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one is sourced from PubChem (CID 110713560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).