4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline

C16H10Cl3NO2S — CID 71823834

IUPAC4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline
SMILESCc1ccc2ncc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c(Cl)c2c1
InChIInChI=1S/C16H10Cl3NO2S/c1-9-2-5-14-11(6-9)16(19)15(8-20-14)23(21,22)10-3-4-12(17)13(18)7-10/h2-8H,1H3
InChIKeyCMTWUUOIAWWOMK-UHFFFAOYSA-N
MW386.69 g/mol
LogP5.34
Rot. Bonds2

About 4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline

4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline (PubChem CID 71823834) has the molecular formula C16H10Cl3NO2S and a molecular weight of 386.69 g/mol. Its IUPAC name is 4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline.

Molecular Properties

Compound Name4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline
PubChem CID71823834
Molecular FormulaC16H10Cl3NO2S
Molecular Weight386.69 g/mol
Exact Mass384.95
IUPAC Name4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline
SMILESCc1ccc2ncc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c(Cl)c2c1
InChIInChI=1S/C16H10Cl3NO2S/c1-9-2-5-14-11(6-9)16(19)15(8-20-14)23(21,22)10-3-4-12(17)13(18)7-10/h2-8H,1H3
InChIKeyCMTWUUOIAWWOMK-UHFFFAOYSA-N
XLogP5.34
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.69
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline?
The IUPAC name of 4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline (CID 71823834) is 4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline.
What is the SMILES notation for 4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline?
The canonical SMILES for 4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline is Cc1ccc2ncc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c(Cl)c2c1.
What is the InChIKey of 4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline?
The InChIKey is CMTWUUOIAWWOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3NO2S/c1-9-2-5-14-11(6-9)16(19)15(8-20-14)23(21,22)10-3-4-12(17)13(18)7-10/h2-8H,1H3.
What are the key properties of 4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline?
4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline has a molecular weight of 386.69 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline is sourced from PubChem (CID 71823834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).