6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

C18H13Cl2N3O3S — CID 4875182

IUPAC6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)nc1
InChIInChI=1S/C18H13Cl2N3O3S/c19-15-6-1-2-7-16(15)23-27(25,26)14-5-3-4-13(10-14)22-18(24)12-8-9-17(20)21-11-12/h1-11,23H,(H,22,24)
InChIKeyGNGFOKQODMWBEP-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.44
Rot. Bonds5

About 6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 4875182) has the molecular formula C18H13Cl2N3O3S and a molecular weight of 422.29 g/mol. Its IUPAC name is 6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID4875182
Molecular FormulaC18H13Cl2N3O3S
Molecular Weight422.29 g/mol
Exact Mass421.01
IUPAC Name6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)nc1
InChIInChI=1S/C18H13Cl2N3O3S/c19-15-6-1-2-7-16(15)23-27(25,26)14-5-3-4-13(10-14)22-18(24)12-8-9-17(20)21-11-12/h1-11,23H,(H,22,24)
InChIKeyGNGFOKQODMWBEP-UHFFFAOYSA-N
XLogP4.44
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 4875182) is 6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is GNGFOKQODMWBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3S/c19-15-6-1-2-7-16(15)23-27(25,26)14-5-3-4-13(10-14)22-18(24)12-8-9-17(20)21-11-12/h1-11,23H,(H,22,24).
What are the key properties of 6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 422.29 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 4875182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).