6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

C19H16ClN3O4S — CID 3248530

IUPAC6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(Cl)nc3)c2)cc1
InChIInChI=1S/C19H16ClN3O4S/c1-27-16-8-6-14(7-9-16)23-28(25,26)17-4-2-3-15(11-17)22-19(24)13-5-10-18(20)21-12-13/h2-12,23H,1H3,(H,22,24)
InChIKeyXNPOHCNDXFGPDS-UHFFFAOYSA-N
MW417.87 g/mol
LogP3.80
Rot. Bonds6

About 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 3248530) has the molecular formula C19H16ClN3O4S and a molecular weight of 417.87 g/mol. Its IUPAC name is 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID3248530
Molecular FormulaC19H16ClN3O4S
Molecular Weight417.87 g/mol
Exact Mass417.06
IUPAC Name6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(Cl)nc3)c2)cc1
InChIInChI=1S/C19H16ClN3O4S/c1-27-16-8-6-14(7-9-16)23-28(25,26)17-4-2-3-15(11-17)22-19(24)13-5-10-18(20)21-12-13/h2-12,23H,1H3,(H,22,24)
InChIKeyXNPOHCNDXFGPDS-UHFFFAOYSA-N
XLogP3.80
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 53.80
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 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 3248530) is 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(Cl)nc3)c2)cc1.
What is the InChIKey of 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is XNPOHCNDXFGPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S/c1-27-16-8-6-14(7-9-16)23-28(25,26)17-4-2-3-15(11-17)22-19(24)13-5-10-18(20)21-12-13/h2-12,23H,1H3,(H,22,24).
What are the key properties of 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 417.87 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 3248530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).