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

C16H17NO3S — CID 669088

IUPAC1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C16H17NO3S/c1-20-14-8-10-15(11-9-14)21(18,19)17-12-4-6-13-5-2-3-7-16(13)17/h2-3,5,7-11H,4,6,12H2,1H3
InChIKeyAXNPNGVJYDDTCZ-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.84
Rot. Bonds3

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

1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 669088) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID669088
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C16H17NO3S/c1-20-14-8-10-15(11-9-14)21(18,19)17-12-4-6-13-5-2-3-7-16(13)17/h2-3,5,7-11H,4,6,12H2,1H3
InChIKeyAXNPNGVJYDDTCZ-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 669088) is 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline is COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is AXNPNGVJYDDTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-20-14-8-10-15(11-9-14)21(18,19)17-12-4-6-13-5-2-3-7-16(13)17/h2-3,5,7-11H,4,6,12H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 303.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 669088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).