1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline

C17H19NO4S — CID 778296

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C17H19NO4S/c1-21-14-9-10-16(22-2)17(12-14)23(19,20)18-11-5-7-13-6-3-4-8-15(13)18/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyWFUWHYHLVVRLEJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.85
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline

1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 778296) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID778296
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C17H19NO4S/c1-21-14-9-10-16(22-2)17(12-14)23(19,20)18-11-5-7-13-6-3-4-8-15(13)18/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyWFUWHYHLVVRLEJ-UHFFFAOYSA-N
XLogP2.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 778296) is 1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline is COc1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is WFUWHYHLVVRLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-21-14-9-10-16(22-2)17(12-14)23(19,20)18-11-5-7-13-6-3-4-8-15(13)18/h3-4,6,8-10,12H,5,7,11H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 333.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 778296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).