2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide

C17H18ClN3O5S — CID 2349249

IUPAC2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18ClN3O5S/c1-25-12-4-5-14(20-17(22)13-3-2-6-19-16(13)18)15(11-12)27(23,24)21-7-9-26-10-8-21/h2-6,11H,7-10H2,1H3,(H,20,22)
InChIKeyLKNZISYHKUXXGX-UHFFFAOYSA-N
MW411.87 g/mol
LogP2.02
Rot. Bonds5

About 2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide

2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 2349249) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID2349249
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC Name2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18ClN3O5S/c1-25-12-4-5-14(20-17(22)13-3-2-6-19-16(13)18)15(11-12)27(23,24)21-7-9-26-10-8-21/h2-6,11H,7-10H2,1H3,(H,20,22)
InChIKeyLKNZISYHKUXXGX-UHFFFAOYSA-N
XLogP2.02
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide (CID 2349249) is 2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is LKNZISYHKUXXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c1-25-12-4-5-14(20-17(22)13-3-2-6-19-16(13)18)15(11-12)27(23,24)21-7-9-26-10-8-21/h2-6,11H,7-10H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide?
2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 411.87 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2349249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).