2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide

C26H24Cl4N6O10S2 — CID 159945782

IUPAC2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide
SMILESCNS(=O)(=O)c1cc(Oc2c(Cl)cc(N)cc2Cl)ncc1OC.CNS(=O)(=O)c1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)ncc1OC
InChIInChI=1S/C13H11Cl2N3O6S.C13H13Cl2N3O4S/c1-16-25(21,22)11-5-12(17-6-10(11)23-2)24-13-8(14)3-7(18(19)20)4-9(13)15;1-17-23(19,20)11-5-12(18-6-10(11)21-2)22-13-8(14)3-7(16)4-9(13)15/h3-6,16H,1-2H3;3-6,17H,16H2,1-2H3
InChIKeyOBLSDJNBYHXYPL-UHFFFAOYSA-N
MW786.46 g/mol
LogP5.69
Rot. Bonds11

About 2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide

2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide (PubChem CID 159945782) has the molecular formula C26H24Cl4N6O10S2 and a molecular weight of 786.46 g/mol. Its IUPAC name is 2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide
PubChem CID159945782
Molecular FormulaC26H24Cl4N6O10S2
Molecular Weight786.46 g/mol
Exact Mass783.97
IUPAC Name2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide
SMILESCNS(=O)(=O)c1cc(Oc2c(Cl)cc(N)cc2Cl)ncc1OC.CNS(=O)(=O)c1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)ncc1OC
InChIInChI=1S/C13H11Cl2N3O6S.C13H13Cl2N3O4S/c1-16-25(21,22)11-5-12(17-6-10(11)23-2)24-13-8(14)3-7(18(19)20)4-9(13)15;1-17-23(19,20)11-5-12(18-6-10(11)21-2)22-13-8(14)3-7(16)4-9(13)15/h3-6,16H,1-2H3;3-6,17H,16H2,1-2H3
InChIKeyOBLSDJNBYHXYPL-UHFFFAOYSA-N
XLogP5.69
TPSA224.20 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.46
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide?
The IUPAC name of 2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide (CID 159945782) is 2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for 2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide?
The canonical SMILES for 2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide is CNS(=O)(=O)c1cc(Oc2c(Cl)cc(N)cc2Cl)ncc1OC.CNS(=O)(=O)c1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)ncc1OC.
What is the InChIKey of 2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide?
The InChIKey is OBLSDJNBYHXYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O6S.C13H13Cl2N3O4S/c1-16-25(21,22)11-5-12(17-6-10(11)23-2)24-13-8(14)3-7(18(19)20)4-9(13)15;1-17-23(19,20)11-5-12(18-6-10(11)21-2)22-13-8(14)3-7(16)4-9(13)15/h3-6,16H,1-2H3;3-6,17H,16H2,1-2H3.
What are the key properties of 2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide?
2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide has a molecular weight of 786.46 g/mol, XLogP of 5.69, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dichlorophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide;2-(2,6-dichloro-4-nitrophenoxy)-5-methoxy-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 159945782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).