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

C18H9Cl4N3O3S — CID 71525169

IUPAC2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESN#Cc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
InChIInChI=1S/C18H9Cl4N3O3S/c19-11-1-2-17(14(20)4-11)29(26,27)25-12-5-15(21)18(16(22)6-12)28-13-3-10(7-23)8-24-9-13/h1-6,8-9,25H
InChIKeyHYZYVEZIXMCICK-UHFFFAOYSA-N
MW489.17 g/mol
LogP6.16
Rot. Bonds5

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

2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide (PubChem CID 71525169) has the molecular formula C18H9Cl4N3O3S and a molecular weight of 489.17 g/mol. Its IUPAC name is 2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide
PubChem CID71525169
Molecular FormulaC18H9Cl4N3O3S
Molecular Weight489.17 g/mol
Exact Mass486.91
IUPAC Name2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESN#Cc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
InChIInChI=1S/C18H9Cl4N3O3S/c19-11-1-2-17(14(20)4-11)29(26,27)25-12-5-15(21)18(16(22)6-12)28-13-3-10(7-23)8-24-9-13/h1-6,8-9,25H
InChIKeyHYZYVEZIXMCICK-UHFFFAOYSA-N
XLogP6.16
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.17
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide (CID 71525169) is 2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide is N#Cc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The InChIKey is HYZYVEZIXMCICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl4N3O3S/c19-11-1-2-17(14(20)4-11)29(26,27)25-12-5-15(21)18(16(22)6-12)28-13-3-10(7-23)8-24-9-13/h1-6,8-9,25H.
What are the key properties of 2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide has a molecular weight of 489.17 g/mol, XLogP of 6.16, 5 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-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 71525169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).