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

C18H12Cl4N2O3S — CID 71525170

IUPAC2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESCc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
InChIInChI=1S/C18H12Cl4N2O3S/c1-10-4-13(9-23-8-10)27-18-15(21)6-12(7-16(18)22)24-28(25,26)17-3-2-11(19)5-14(17)20/h2-9,24H,1H3
InChIKeyGVPOBQMDDUCYKM-UHFFFAOYSA-N
MW478.18 g/mol
LogP6.60
Rot. Bonds5

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

2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide (PubChem CID 71525170) has the molecular formula C18H12Cl4N2O3S and a molecular weight of 478.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide
PubChem CID71525170
Molecular FormulaC18H12Cl4N2O3S
Molecular Weight478.18 g/mol
Exact Mass475.93
IUPAC Name2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide
SMILESCc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
InChIInChI=1S/C18H12Cl4N2O3S/c1-10-4-13(9-23-8-10)27-18-15(21)6-12(7-16(18)22)24-28(25,26)17-3-2-11(19)5-14(17)20/h2-9,24H,1H3
InChIKeyGVPOBQMDDUCYKM-UHFFFAOYSA-N
XLogP6.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.18
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide (CID 71525170) is 2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide is 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-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The InChIKey is GVPOBQMDDUCYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl4N2O3S/c1-10-4-13(9-23-8-10)27-18-15(21)6-12(7-16(18)22)24-28(25,26)17-3-2-11(19)5-14(17)20/h2-9,24H,1H3.
What are the key properties of 2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide has a molecular weight of 478.18 g/mol, XLogP of 6.60, 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-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 71525170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).