5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide

C18H13Cl3N4O3S — CID 162667195

IUPAC5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C18H13Cl3N4O3S/c1-22-18(26)12-4-10(7-23-8-12)11-5-15(17(21)24-9-11)25-29(27,28)16-3-2-13(19)6-14(16)20/h2-9,25H,1H3,(H,22,26)
InChIKeyRUHODXDYGLMFMR-UHFFFAOYSA-N
MW471.75 g/mol
LogP4.26
Rot. Bonds5

About 5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide

5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (PubChem CID 162667195) has the molecular formula C18H13Cl3N4O3S and a molecular weight of 471.75 g/mol. Its IUPAC name is 5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
PubChem CID162667195
Molecular FormulaC18H13Cl3N4O3S
Molecular Weight471.75 g/mol
Exact Mass469.98
IUPAC Name5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C18H13Cl3N4O3S/c1-22-18(26)12-4-10(7-23-8-12)11-5-15(17(21)24-9-11)25-29(27,28)16-3-2-13(19)6-14(16)20/h2-9,25H,1H3,(H,22,26)
InChIKeyRUHODXDYGLMFMR-UHFFFAOYSA-N
XLogP4.26
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.75
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (CID 162667195) is 5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(Cl)cc3Cl)c2)c1.
What is the InChIKey of 5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The InChIKey is RUHODXDYGLMFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N4O3S/c1-22-18(26)12-4-10(7-23-8-12)11-5-15(17(21)24-9-11)25-29(27,28)16-3-2-13(19)6-14(16)20/h2-9,25H,1H3,(H,22,26).
What are the key properties of 5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide has a molecular weight of 471.75 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-[(2,4-dichlorophenyl)sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 162667195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).