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

C16H16ClNO3S — CID 747343

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H16ClNO3S/c1-21-15-9-8-13(17)11-16(15)22(19,20)18-10-4-6-12-5-2-3-7-14(12)18/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyDKIFUZGIHGWZHN-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.49
Rot. Bonds3

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

1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 747343) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID747343
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H16ClNO3S/c1-21-15-9-8-13(17)11-16(15)22(19,20)18-10-4-6-12-5-2-3-7-14(12)18/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyDKIFUZGIHGWZHN-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-[(5-Chloro-2-ethoxyphenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 1179548
1-(5-Chloro-2-ethoxybenzenesulfonyl)-4-(3,4-dimethylphenyl)piperazine
CID 1290133
1-(5-Chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280662
5-chloro-2-methoxy-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 44526711
1-(2-Methoxy-4,5-dimethyl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline
CID 2932316
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-(3-Chlorophenyl)-4-[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1260303
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
1-[(2,5-Dimethoxyphenyl)sulfonyl]-7-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2942868
1-(4-Methoxybenzenesulfonyl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 42913173

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 747343) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline is COc1ccc(Cl)cc1S(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is DKIFUZGIHGWZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-21-15-9-8-13(17)11-16(15)22(19,20)18-10-4-6-12-5-2-3-7-14(12)18/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(5-chloro-2-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-(5-chloro-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 747343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).