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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Related Compounds

5-((5-Chloro-2-methoxyphenyl)sulfonamido)nicotinamide
CID 89768286
N-[3-(aminosulfonyl)phenyl]-2-phenoxynicotinamide
CID 2812916
5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 4267343
2-Chloro-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 840301
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide
CID 3618549
5-chloro-2-methoxy-N-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
CID 56684219
5-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-phenylpyridine-3-carboxamide
CID 89768344
5-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-methylpyridine-3-carboxamide
CID 89768436
5-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-ethylpyridine-3-carboxamide
CID 89768486
2-(2-chlorophenyl)-N-[4-(pyridin-2-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125453
2-(2-chlorophenyl)-N-(4-pyridin-2-yloxy-3-sulfamoylphenyl)acetamide
CID 124125486

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).