7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline

C16H18N2O3S — CID 175202252

IUPAC7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline
SMILESCOc1ccc2c(c1)NCCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O3S/c1-12-3-6-14(7-4-12)22(19,20)18-10-9-17-15-11-13(21-2)5-8-16(15)18/h3-8,11,17H,9-10H2,1-2H3
InChIKeyZVXIMZPFOWUQGN-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.62
Rot. Bonds3

About 7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline

7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline (PubChem CID 175202252) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline
PubChem CID175202252
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline
SMILESCOc1ccc2c(c1)NCCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O3S/c1-12-3-6-14(7-4-12)22(19,20)18-10-9-17-15-11-13(21-2)5-8-16(15)18/h3-8,11,17H,9-10H2,1-2H3
InChIKeyZVXIMZPFOWUQGN-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 10568487
8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-ol
CID 10712674
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
(3E)-6-methoxy-1-(4-methylphenyl)sulfonyl-3-(pyridin-4-ylmethylidene)-2H-quinolin-4-one
CID 6510018
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
(3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103783
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307
5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 126793094
4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide
CID 18125908
4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine
CID 110720697
2-amino-1-(7-methoxy-2,3,4,5-tetrahydro-1,5-benzodiazepin-1-yl)ethanone
CID 84628159
6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
CID 56588648

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline (CID 175202252) is 7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline is COc1ccc2c(c1)NCCN2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is ZVXIMZPFOWUQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12-3-6-14(7-4-12)22(19,20)18-10-9-17-15-11-13(21-2)5-8-16(15)18/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline?
7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 318.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 175202252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).