1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol

C16H17NO4S — CID 2049185

IUPAC1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cccc(O)c32)cc1
InChIInChI=1S/C16H17NO4S/c1-21-13-7-9-14(10-8-13)22(19,20)17-11-3-5-12-4-2-6-15(18)16(12)17/h2,4,6-10,18H,3,5,11H2,1H3
InChIKeyGNSKNTXUPLSVCO-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.54
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol

1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol (PubChem CID 2049185) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
PubChem CID2049185
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cccc(O)c32)cc1
InChIInChI=1S/C16H17NO4S/c1-21-13-7-9-14(10-8-13)22(19,20)17-11-3-5-12-4-2-6-15(18)16(12)17/h2,4,6-10,18H,3,5,11H2,1H3
InChIKeyGNSKNTXUPLSVCO-UHFFFAOYSA-N
XLogP2.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol (CID 2049185) is 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol is COc1ccc(S(=O)(=O)N2CCCc3cccc(O)c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol?
The InChIKey is GNSKNTXUPLSVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-21-13-7-9-14(10-8-13)22(19,20)17-11-3-5-12-4-2-6-15(18)16(12)17/h2,4,6-10,18H,3,5,11H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol?
1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol has a molecular weight of 319.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol is sourced from PubChem (CID 2049185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).