1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline

C16H16ClNO3S — CID 802840

IUPAC1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline
SMILESCOc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO3S/c1-21-14-6-9-16-12(11-14)3-2-10-18(16)22(19,20)15-7-4-13(17)5-8-15/h4-9,11H,2-3,10H2,1H3
InChIKeySJWMIFDTVWXQAZ-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.49
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline

1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline (PubChem CID 802840) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline
PubChem CID802840
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline
SMILESCOc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO3S/c1-21-14-6-9-16-12(11-14)3-2-10-18(16)22(19,20)15-7-4-13(17)5-8-15/h4-9,11H,2-3,10H2,1H3
InChIKeySJWMIFDTVWXQAZ-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
6-Methoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 988603
1-(Phenylsulfonyl)-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 10026806
9-Methoxy-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
CID 775733
1-{[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl}-4-(4-methoxyphenyl)piperazine
CID 1305618
1-(4-Methoxybenzenesulfonyl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 42913173
N-benzyl-4-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 134145786
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
N-[2-[(4aS,9aS)-6-methoxy-4-methylidene-2,3,9,9a-tetrahydro-1H-carbazol-4a-yl]ethyl]-4-chlorobenzenesulfonamide
CID 90467654
1-Chloro-2-methoxy-4-(1,2,3,4-tetrahydroquinolylsulfonyl)benzene
CID 2932960

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline (CID 802840) is 1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline is COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline?
The InChIKey is SJWMIFDTVWXQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-21-14-6-9-16-12(11-14)3-2-10-18(16)22(19,20)15-7-4-13(17)5-8-15/h4-9,11H,2-3,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline?
1-(4-chlorophenyl)sulfonyl-6-methoxy-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-chlorophenyl)sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 802840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).