4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline

C15H8Cl3NO2S — CID 56923453

IUPAC4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cnc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H8Cl3NO2S/c16-9-1-4-11(5-2-9)22(20,21)14-8-19-13-7-10(17)3-6-12(13)15(14)18/h1-8H
InChIKeyICKIACAKKXTULJ-UHFFFAOYSA-N
MW372.66 g/mol
LogP5.03
Rot. Bonds2

About 4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline

4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline (PubChem CID 56923453) has the molecular formula C15H8Cl3NO2S and a molecular weight of 372.66 g/mol. Its IUPAC name is 4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline.

Molecular Properties

Compound Name4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline
PubChem CID56923453
Molecular FormulaC15H8Cl3NO2S
Molecular Weight372.66 g/mol
Exact Mass370.93
IUPAC Name4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cnc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H8Cl3NO2S/c16-9-1-4-11(5-2-9)22(20,21)14-8-19-13-7-10(17)3-6-12(13)15(14)18/h1-8H
InChIKeyICKIACAKKXTULJ-UHFFFAOYSA-N
XLogP5.03
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.66
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-(4-chlorophenyl)sulfonyl-1H-quinolin-4-one;4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline
CID 159233601
4,6-dichloro-3-(3-fluorophenyl)sulfonylquinoline
CID 56923463
3-(benzenesulfonyl)-6-chloro-N,N-diethylquinolin-4-amine
CID 7184184
4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-6,7-dimethoxyquinoline
CID 18559569
4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline
CID 71823834
2-(4-tert-butylphenyl)sulfonyl-6-chloroquinoxaline
CID 70549795
3-(4-chlorophenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline
CID 18560129
N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 16804653
3-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylquinoline
CID 20882607
5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile
CID 71823826
6-chloro-N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18560312
4-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]morpholine
CID 2150542

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline?
The IUPAC name of 4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline (CID 56923453) is 4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline.
What is the SMILES notation for 4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline?
The canonical SMILES for 4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline is O=S(=O)(c1ccc(Cl)cc1)c1cnc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline?
The InChIKey is ICKIACAKKXTULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3NO2S/c16-9-1-4-11(5-2-9)22(20,21)14-8-19-13-7-10(17)3-6-12(13)15(14)18/h1-8H.
What are the key properties of 4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline?
4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline has a molecular weight of 372.66 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-3-(4-chlorophenyl)sulfonylquinoline is sourced from PubChem (CID 56923453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).