(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide

C21H28ClN3O3S — CID 124978058

IUPAC(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1
InChIInChI=1S/C21H28ClN3O3S/c1-4-24(5-2)29(26,27)25-10-11-28-21(15-25)20-14-17(12-16(3)23-20)13-18-8-6-7-9-19(18)22/h6-9,12,14,21H,4-5,10-11,13,15H2,1-3H3/t21-/m1/s1
InChIKeyLRAVJFMCWNJJEN-OAQYLSRUSA-N
MW437.99 g/mol
LogP3.59
Rot. Bonds7

About (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide

(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide (PubChem CID 124978058) has the molecular formula C21H28ClN3O3S and a molecular weight of 437.99 g/mol. Its IUPAC name is (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide
PubChem CID124978058
Molecular FormulaC21H28ClN3O3S
Molecular Weight437.99 g/mol
Exact Mass437.15
IUPAC Name(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1
InChIInChI=1S/C21H28ClN3O3S/c1-4-24(5-2)29(26,27)25-10-11-28-21(15-25)20-14-17(12-16(3)23-20)13-18-8-6-7-9-19(18)22/h6-9,12,14,21H,4-5,10-11,13,15H2,1-3H3/t21-/m1/s1
InChIKeyLRAVJFMCWNJJEN-OAQYLSRUSA-N
XLogP3.59
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 124983214
2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
CID 127251417
3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide
CID 110264875
N,N-diethyl-2-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]acetamide
CID 127251415
(2R)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 125003032
2-[(2R)-4-(diethylsulfamoyl)morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92638952
1-[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814073
4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 92617109
[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110263682
2-(2,6-dimethylpyrimidin-4-yl)-N,N-dimethylmorpholine-4-sulfonamide
CID 110115941
1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110252554
N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide
CID 110105054

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide?
The IUPAC name of (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide (CID 124978058) is (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide?
The canonical SMILES for (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide is CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1.
What is the InChIKey of (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide?
The InChIKey is LRAVJFMCWNJJEN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28ClN3O3S/c1-4-24(5-2)29(26,27)25-10-11-28-21(15-25)20-14-17(12-16(3)23-20)13-18-8-6-7-9-19(18)22/h6-9,12,14,21H,4-5,10-11,13,15H2,1-3H3/t21-/m1/s1.
What are the key properties of (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide?
(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide has a molecular weight of 437.99 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide is sourced from PubChem (CID 124978058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).