3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline

C22H14Cl2FNO3S — CID 25167451

IUPAC3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline
SMILESCOc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C22H14Cl2FNO3S/c1-29-20-9-7-16(11-18(20)24)30(27,28)21-12-26-19-8-6-15(25)10-17(19)22(21)13-2-4-14(23)5-3-13/h2-12H,1H3
InChIKeyVDTHHOHADRWPIN-UHFFFAOYSA-N
MW462.33 g/mol
LogP6.19
Rot. Bonds4

About 3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline

3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline (PubChem CID 25167451) has the molecular formula C22H14Cl2FNO3S and a molecular weight of 462.33 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline
PubChem CID25167451
Molecular FormulaC22H14Cl2FNO3S
Molecular Weight462.33 g/mol
Exact Mass461.01
IUPAC Name3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline
SMILESCOc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C22H14Cl2FNO3S/c1-29-20-9-7-16(11-18(20)24)30(27,28)21-12-26-19-8-6-15(25)10-17(19)22(21)13-2-4-14(23)5-3-13/h2-12H,1H3
InChIKeyVDTHHOHADRWPIN-UHFFFAOYSA-N
XLogP6.19
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.33
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline
CID 56923463
4-(4-chlorophenyl)-8-fluoro-3-(4-methoxyphenyl)sulfonylquinoline
CID 25169197
1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-8-fluoropyrazolo[4,3-c]quinoline
CID 20852858
7-chloro-3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline;7-chloro-3-(3-chlorophenyl)sulfonyl-4-(4-methylpiperidin-1-yl)quinoline
CID 158886725
4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline
CID 91895097
3-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)sulfonylthieno[2,3-b]pyridine
CID 24900078
8-fluoro-3-(3-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)quinoline
CID 25169332
N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 16804653
3-(3,4-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline
CID 25168387
4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-6,7-dimethoxyquinoline
CID 18559569
6-fluoro-4-(4-methoxyphenyl)-3-methylquinoline
CID 122371652
4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline
CID 56923475

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline (CID 25167451) is 3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline is COc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2-c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline?
The InChIKey is VDTHHOHADRWPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FNO3S/c1-29-20-9-7-16(11-18(20)24)30(27,28)21-12-26-19-8-6-15(25)10-17(19)22(21)13-2-4-14(23)5-3-13/h2-12H,1H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline?
3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline has a molecular weight of 462.33 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-chlorophenyl)-6-fluoroquinoline is sourced from PubChem (CID 25167451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).