4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline

C18H16ClNO3S — CID 56923475

IUPAC4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline
SMILESCOc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(Cl)c2c1
InChIInChI=1S/C18H16ClNO3S/c1-11-4-6-14(8-12(11)2)24(21,22)17-10-20-16-7-5-13(23-3)9-15(16)18(17)19/h4-10H,1-3H3
InChIKeyQFDAHOIAYMHNKN-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.35
Rot. Bonds3

About 4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline

4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline (PubChem CID 56923475) has the molecular formula C18H16ClNO3S and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline.

Molecular Properties

Compound Name4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline
PubChem CID56923475
Molecular FormulaC18H16ClNO3S
Molecular Weight361.85 g/mol
Exact Mass361.05
IUPAC Name4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline
SMILESCOc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(Cl)c2c1
InChIInChI=1S/C18H16ClNO3S/c1-11-4-6-14(8-12(11)2)24(21,22)17-10-20-16-7-5-13(23-3)9-15(16)18(17)19/h4-10H,1-3H3
InChIKeyQFDAHOIAYMHNKN-UHFFFAOYSA-N
XLogP4.35
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline
CID 91895097
3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-1-yl)-6-methoxyquinoline
CID 16807335
4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline
CID 71823834
ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-4-yl]piperidine-4-carboxylate
CID 16825260
N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine
CID 18560452
6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 146080934
[4-(benzenesulfonyl)-6-methoxyquinolin-3-yl]-(3,4-dimethylphenyl)methanone
CID 18559754
ethyl (3R)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-4-yl]piperidine-3-carboxylate
CID 30437598
ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-4-yl]piperidine-3-carboxylate
CID 30437603
4-[(4-chlorophenyl)methylsulfanyl]-3-(4-chlorophenyl)sulfonyl-6-methoxyquinoline
CID 22425090
3-(3-fluoro-4-methylphenyl)sulfonyl-4-methoxy-6-methylquinoline
CID 22425175
4-chloro-3-(3-fluorophenyl)sulfonyl-6-methylquinoline
CID 56923459

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline?
The IUPAC name of 4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline (CID 56923475) is 4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline.
What is the SMILES notation for 4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline?
The canonical SMILES for 4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline is COc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(Cl)c2c1.
What is the InChIKey of 4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline?
The InChIKey is QFDAHOIAYMHNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3S/c1-11-4-6-14(8-12(11)2)24(21,22)17-10-20-16-7-5-13(23-3)9-15(16)18(17)19/h4-10H,1-3H3.
What are the key properties of 4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline?
4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline has a molecular weight of 361.85 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline is sourced from PubChem (CID 56923475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).