4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

C15H13ClN2O4S — CID 6492939

IUPAC4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1Cl
InChIInChI=1S/C15H13ClN2O4S/c1-22-14-7-6-10(8-11(14)16)23(20,21)18-9-15(19)17-12-4-2-3-5-13(12)18/h2-8H,9H2,1H3,(H,17,19)
InChIKeyYIZANRGJGWABKE-UHFFFAOYSA-N
MW352.80 g/mol
LogP2.50
Rot. Bonds3

About 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one

4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 6492939) has the molecular formula C15H13ClN2O4S and a molecular weight of 352.80 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID6492939
Molecular FormulaC15H13ClN2O4S
Molecular Weight352.80 g/mol
Exact Mass352.03
IUPAC Name4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1Cl
InChIInChI=1S/C15H13ClN2O4S/c1-22-14-7-6-10(8-11(14)16)23(20,21)18-9-15(19)17-12-4-2-3-5-13(12)18/h2-8H,9H2,1H3,(H,17,19)
InChIKeyYIZANRGJGWABKE-UHFFFAOYSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 6492939) is 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is YIZANRGJGWABKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S/c1-22-14-7-6-10(8-11(14)16)23(20,21)18-9-15(19)17-12-4-2-3-5-13(12)18/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one?
4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 352.80 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 6492939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).