2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide
C34H19Cl9N4O6S2 — CID 158112111
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-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.O=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H9Cl5N2O3S.C17H10Cl4N2O3S/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;18-10-1-4-17(15(21)6-10)27(24,25)23-12-2-3-16(14(20)7-12)26-13-5-11(19)8-22-9-13/h1-8,24H;1-9,23H
InChIKeyFQOFBNXBDAEMOR-UHFFFAOYSA-N
MW962.76 g/mol
LogP13.23
Rot. Bonds10
About 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide
2,4-dichloro-N-[3-chloro-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 158112111) has the molecular formula C34H19Cl9N4O6S2 and a molecular weight of 962.76 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide.
Molecular Properties
| Compound Name | 2,4-dichloro-N-[3-chloro-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 | 158112111 |
| Molecular Formula | C34H19Cl9N4O6S2 |
| Molecular Weight | 962.76 g/mol |
| Exact Mass | 957.79 |
| IUPAC Name | 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide |
| SMILES | O=S(=O)(Nc1cc(Cl)c(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl.O=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl |
| InChI | InChI=1S/C17H9Cl5N2O3S.C17H10Cl4N2O3S/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;18-10-1-4-17(15(21)6-10)27(24,25)23-12-2-3-16(14(20)7-12)26-13-5-11(19)8-22-9-13/h1-8,24H;1-9,23H |
| InChIKey | FQOFBNXBDAEMOR-UHFFFAOYSA-N |
| XLogP | 13.23 |
| TPSA | 136.58 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 55 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 962.76 |
| LogP ≤ 5 | 13.23 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Frequently Asked Questions
What is the IUPAC name of 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide (CID 158112111) is 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;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-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;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.O=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
The InChIKey is FQOFBNXBDAEMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl5N2O3S.C17H10Cl4N2O3S/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;18-10-1-4-17(15(21)6-10)27(24,25)23-12-2-3-16(14(20)7-12)26-13-5-11(19)8-22-9-13/h1-8,24H;1-9,23H.
What are the key properties of 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide?
2,4-dichloro-N-[3-chloro-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 962.76 g/mol, XLogP of 13.23, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 158112111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158112111 — identifiers, structure, computed properties (public domain)
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