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

C17H12Cl3N3O3S — CID 59849898

IUPAC2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide
SMILESCc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl3N3O3S/c1-10-15(3-2-6-21-10)26-17-14(8-12(19)9-22-17)23-27(24,25)16-5-4-11(18)7-13(16)20/h2-9,23H,1H3
InChIKeyIIFPNEXVVKBIHY-UHFFFAOYSA-N
MW444.73 g/mol
LogP5.34
Rot. Bonds5

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

2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide (PubChem CID 59849898) has the molecular formula C17H12Cl3N3O3S and a molecular weight of 444.73 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide
PubChem CID59849898
Molecular FormulaC17H12Cl3N3O3S
Molecular Weight444.73 g/mol
Exact Mass442.97
IUPAC Name2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide
SMILESCc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl3N3O3S/c1-10-15(3-2-6-21-10)26-17-14(8-12(19)9-22-17)23-27(24,25)16-5-4-11(18)7-13(16)20/h2-9,23H,1H3
InChIKeyIIFPNEXVVKBIHY-UHFFFAOYSA-N
XLogP5.34
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.73
LogP ≤ 55.34
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-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide (CID 59849898) is 2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide is Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide?
The InChIKey is IIFPNEXVVKBIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3O3S/c1-10-15(3-2-6-21-10)26-17-14(8-12(19)9-22-17)23-27(24,25)16-5-4-11(18)7-13(16)20/h2-9,23H,1H3.
What are the key properties of 2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide?
2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide has a molecular weight of 444.73 g/mol, XLogP of 5.34, 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-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59849898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).