2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide

C18H21N3O4S — CID 58924251

IUPAC2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide
SMILESC[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)Nc2cccnc2)C[C@H](C)O1
InChIInChI=1S/C18H21N3O4S/c1-13-11-21(12-14(2)25-13)18(22)16-7-3-4-8-17(16)26(23,24)20-15-6-5-9-19-10-15/h3-10,13-14,20H,11-12H2,1-2H3/t13-,14+
InChIKeyMYIKJRBOTOQWDC-OKILXGFUSA-N
MW375.45 g/mol
LogP2.13
Rot. Bonds4

About 2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide

2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 58924251) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide
PubChem CID58924251
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide
SMILESC[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)Nc2cccnc2)C[C@H](C)O1
InChIInChI=1S/C18H21N3O4S/c1-13-11-21(12-14(2)25-13)18(22)16-7-3-4-8-17(16)26(23,24)20-15-6-5-9-19-10-15/h3-10,13-14,20H,11-12H2,1-2H3/t13-,14+
InChIKeyMYIKJRBOTOQWDC-OKILXGFUSA-N
XLogP2.13
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide with MolForge

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Related Compounds

2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide
CID 58924135
2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid
CID 63742304
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
CID 105071465
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methanone
CID 95591997
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 81236152
(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115646200
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 39902934
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 104960482
1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea
CID 94031851
(2,6-dimethylmorpholin-4-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 134016503

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide (CID 58924251) is 2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide is C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)Nc2cccnc2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is MYIKJRBOTOQWDC-OKILXGFUSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-11-21(12-14(2)25-13)18(22)16-7-3-4-8-17(16)26(23,24)20-15-6-5-9-19-10-15/h3-10,13-14,20H,11-12H2,1-2H3/t13-,14+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide?
2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 58924251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).