2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide

C17H9Cl5N2O3S — CID 11249025

IUPAC2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H9Cl5N2O3S/c18-9-1-2-16(13(20)4-9)28(25,26)24-11-5-14(21)17(15(22)6-11)27-12-3-10(19)7-23-8-12/h1-8,24H
InChIKeyLIMFSRUCVSKRHN-UHFFFAOYSA-N
MW498.60 g/mol
LogP6.94
Rot. Bonds5

About 2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide

2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide (PubChem CID 11249025) has the molecular formula C17H9Cl5N2O3S and a molecular weight of 498.60 g/mol. Its IUPAC name is 2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide
PubChem CID11249025
Molecular FormulaC17H9Cl5N2O3S
Molecular Weight498.60 g/mol
Exact Mass495.88
IUPAC Name2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H9Cl5N2O3S/c18-9-1-2-16(13(20)4-9)28(25,26)24-11-5-14(21)17(15(22)6-11)27-12-3-10(19)7-23-8-12/h1-8,24H
InChIKeyLIMFSRUCVSKRHN-UHFFFAOYSA-N
XLogP6.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide 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 2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide (CID 11249025) is 2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The InChIKey is LIMFSRUCVSKRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl5N2O3S/c18-9-1-2-16(13(20)4-9)28(25,26)24-11-5-14(21)17(15(22)6-11)27-12-3-10(19)7-23-8-12/h1-8,24H.
What are the key properties of 2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide has a molecular weight of 498.60 g/mol, XLogP of 6.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 11249025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).