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

C16H16ClNO3S — CID 2932960

IUPAC1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C16H16ClNO3S/c1-21-16-11-13(8-9-14(16)17)22(19,20)18-10-4-6-12-5-2-3-7-15(12)18/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyYWCWUJGECHMIPE-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.49
Rot. Bonds3

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

1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 2932960) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID2932960
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C16H16ClNO3S/c1-21-16-11-13(8-9-14(16)17)22(19,20)18-10-4-6-12-5-2-3-7-15(12)18/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyYWCWUJGECHMIPE-UHFFFAOYSA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
1-[(4-Chloro-3-methoxyphenyl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 1260301
1-((4-Chloro-3-methoxyphenyl)sulfonyl)-4-(4-fluorophenyl)piperazine
CID 660922
4-chloro-3-ethoxy-N-(2-ethylphenyl)benzenesulfonamide
CID 935496
4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1259343
1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 778296
1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline
CID 802840
1-(4-Chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1076575
1-(4-Methoxybenzenesulfonyl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 42913173
1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 747343
1-[(4-Methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 669088
N-benzyl-4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3431629

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 2932960) is 1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline is COc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is YWCWUJGECHMIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-21-16-11-13(8-9-14(16)17)22(19,20)18-10-4-6-12-5-2-3-7-15(12)18/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 337.83 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 2932960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).