2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide

C17H18ClN3O4S — CID 33308662

IUPAC2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccnc(Cl)c1
InChIInChI=1S/C17H18ClN3O4S/c18-16-11-13(5-6-19-16)17(22)20-12-14-3-1-2-4-15(14)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)
InChIKeyPYAGKEVUNAASLM-UHFFFAOYSA-N
MW395.87 g/mol
LogP1.69
Rot. Bonds5

About 2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide

2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 33308662) has the molecular formula C17H18ClN3O4S and a molecular weight of 395.87 g/mol. Its IUPAC name is 2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
PubChem CID33308662
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87 g/mol
Exact Mass395.07
IUPAC Name2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccnc(Cl)c1
InChIInChI=1S/C17H18ClN3O4S/c18-16-11-13(5-6-19-16)17(22)20-12-14-3-1-2-4-15(14)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)
InChIKeyPYAGKEVUNAASLM-UHFFFAOYSA-N
XLogP1.69
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 51.69
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

6-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 18149126
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24584059
3-(cyclopropylsulfamoyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 24680805
N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082968
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 17442191
2-(3-chlorophenyl)-4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 24680820
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582298
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167940
2-(difluoromethoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30955346
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30797106
4-bromo-3-morpholin-4-ylsulfonyl-N-[(2-nitrophenyl)methyl]benzamide
CID 55798882

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide (CID 33308662) is 2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide is O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is PYAGKEVUNAASLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4S/c18-16-11-13(5-6-19-16)17(22)20-12-14-3-1-2-4-15(14)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10,12H2,(H,20,22).
What are the key properties of 2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide?
2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 395.87 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 33308662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).