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

C15H14ClNO2S — CID 2843275

IUPAC1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCc2ccccc21
InChIInChI=1S/C15H14ClNO2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11H2
InChIKeyRMRCIUGTXUYGNZ-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.48
Rot. Bonds2

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

1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 2843275) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID2843275
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCc2ccccc21
InChIInChI=1S/C15H14ClNO2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11H2
InChIKeyRMRCIUGTXUYGNZ-UHFFFAOYSA-N
XLogP3.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Chlorophenyl)sulfonyl-2,3-dihydroindole
CID 710426
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
N-[(4-chlorophenyl)sulfonyl]-N-(2-methylphenyl)acetamide
CID 872494
1-(Phenylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 225584
4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 668790
1-[(3,4-Dichlorophenyl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine
CID 24906059
4-chloro-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
CID 71584279
1-Tosyl-1,2,3,4-tetrahydroquinoline
CID 726531
6-Fluoro-1-[(4-fluorophenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933162
6-methyl-6H-dibenzo[c,e][1,2]thiazine 5,5-dioxide
CID 640044
2,5-dichloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 796394

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 2843275) is 1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline is O=S(=O)(c1ccc(Cl)cc1)N1CCCc2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is RMRCIUGTXUYGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 307.80 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 2843275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).