5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide

C11H5Cl5N2O2S — CID 4731003

IUPAC5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H5Cl5N2O2S/c12-6-2-8(14)10(3-7(6)13)18-21(19,20)5-1-9(15)11(16)17-4-5/h1-4,18H
InChIKeySHMVGKKGWKUXRN-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.15
Rot. Bonds3

About 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide

5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide (PubChem CID 4731003) has the molecular formula C11H5Cl5N2O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide
PubChem CID4731003
Molecular FormulaC11H5Cl5N2O2S
Molecular Weight406.51 g/mol
Exact Mass403.85
IUPAC Name5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H5Cl5N2O2S/c12-6-2-8(14)10(3-7(6)13)18-21(19,20)5-1-9(15)11(16)17-4-5/h1-4,18H
InChIKeySHMVGKKGWKUXRN-UHFFFAOYSA-N
XLogP5.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 64607834
5,6-dichloro-N-(4-hydroxy-2-methylphenyl)pyridine-3-sulfonamide
CID 64606325
5,6-dichloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 64625188
5,6-dichloro-N-(2,4,6-triiodophenyl)pyridine-3-sulfonamide
CID 64607451
N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide
CID 110618393
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate
CID 4730940
5,6-dichloro-N-(5-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 64687580
5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 103930794
5,6-dichloro-N-(2,5-dimethylpyrazol-3-yl)pyridine-3-sulfonamide
CID 64625172
5,6-dichloropyridine-3-sulfonyl chloride
CID 4736911
5,6-dichloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 64782411

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide (CID 4731003) is 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide?
The InChIKey is SHMVGKKGWKUXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl5N2O2S/c12-6-2-8(14)10(3-7(6)13)18-21(19,20)5-1-9(15)11(16)17-4-5/h1-4,18H.
What are the key properties of 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide?
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide has a molecular weight of 406.51 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 4731003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).