2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide

C17H17Cl2N3O4S — CID 26662569

IUPAC2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C17H17Cl2N3O4S/c18-15-9-13(10-16(19)21-15)17(23)20-11-12-1-3-14(4-2-12)27(24,25)22-5-7-26-8-6-22/h1-4,9-10H,5-8,11H2,(H,20,23)
InChIKeyJQYKPQUQBUTOHM-UHFFFAOYSA-N
MW430.31 g/mol
LogP2.34
Rot. Bonds5

About 2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide

2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 26662569) has the molecular formula C17H17Cl2N3O4S and a molecular weight of 430.31 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
PubChem CID26662569
Molecular FormulaC17H17Cl2N3O4S
Molecular Weight430.31 g/mol
Exact Mass429.03
IUPAC Name2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C17H17Cl2N3O4S/c18-15-9-13(10-16(19)21-15)17(23)20-11-12-1-3-14(4-2-12)27(24,25)22-5-7-26-8-6-22/h1-4,9-10H,5-8,11H2,(H,20,23)
InChIKeyJQYKPQUQBUTOHM-UHFFFAOYSA-N
XLogP2.34
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-6-carboxamide
CID 55825308
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9406618
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide
CID 30767130
3-chloro-4-hydroxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18116541
6-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 46592420
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 24548447
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide (CID 26662569) is 2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is JQYKPQUQBUTOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4S/c18-15-9-13(10-16(19)21-15)17(23)20-11-12-1-3-14(4-2-12)27(24,25)22-5-7-26-8-6-22/h1-4,9-10H,5-8,11H2,(H,20,23).
What are the key properties of 2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide?
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 430.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 26662569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).