2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide

C23H16Cl4N2O4S — CID 142691210

IUPAC2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide
SMILESCc1ccc2ncc(Oc3c(Cl)cc(ONS(=O)(=O)c4cc(C)c(Cl)cc4Cl)cc3Cl)cc2c1
InChIInChI=1S/C23H16Cl4N2O4S/c1-12-3-4-21-14(5-12)7-16(11-28-21)32-23-19(26)8-15(9-20(23)27)33-29-34(30,31)22-6-13(2)17(24)10-18(22)25/h3-11,29H,1-2H3
InChIKeyADSYBYIEKLOMEB-UHFFFAOYSA-N
MW558.27 g/mol
LogP7.53
Rot. Bonds6

About 2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide

2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide (PubChem CID 142691210) has the molecular formula C23H16Cl4N2O4S and a molecular weight of 558.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide
PubChem CID142691210
Molecular FormulaC23H16Cl4N2O4S
Molecular Weight558.27 g/mol
Exact Mass555.96
IUPAC Name2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide
SMILESCc1ccc2ncc(Oc3c(Cl)cc(ONS(=O)(=O)c4cc(C)c(Cl)cc4Cl)cc3Cl)cc2c1
InChIInChI=1S/C23H16Cl4N2O4S/c1-12-3-4-21-14(5-12)7-16(11-28-21)32-23-19(26)8-15(9-20(23)27)33-29-34(30,31)22-6-13(2)17(24)10-18(22)25/h3-11,29H,1-2H3
InChIKeyADSYBYIEKLOMEB-UHFFFAOYSA-N
XLogP7.53
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.27
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide (CID 142691210) is 2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide is Cc1ccc2ncc(Oc3c(Cl)cc(ONS(=O)(=O)c4cc(C)c(Cl)cc4Cl)cc3Cl)cc2c1.
What is the InChIKey of 2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide?
The InChIKey is ADSYBYIEKLOMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl4N2O4S/c1-12-3-4-21-14(5-12)7-16(11-28-21)32-23-19(26)8-15(9-20(23)27)33-29-34(30,31)22-6-13(2)17(24)10-18(22)25/h3-11,29H,1-2H3.
What are the key properties of 2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide has a molecular weight of 558.27 g/mol, XLogP of 7.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide is sourced from PubChem (CID 142691210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).