4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide

C21H27FN2O5S — CID 16730453

IUPAC4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide
SMILESO=C(NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2)C1COCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O5S/c22-16-1-3-17(4-2-16)30(27,28)24-5-6-29-12-18(24)20(25)23-19-14-7-13-8-15(19)11-21(26,9-13)10-14/h1-4,13-15,18-19,26H,5-12H2,(H,23,25)/t13?,14-,15+,18?,19?,21?
InChIKeyAKMNTFQUKXLHLR-GLFNZEPASA-N
MW438.52 g/mol
LogP1.27
Rot. Bonds4

About 4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide

4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide (PubChem CID 16730453) has the molecular formula C21H27FN2O5S and a molecular weight of 438.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide
PubChem CID16730453
Molecular FormulaC21H27FN2O5S
Molecular Weight438.52 g/mol
Exact Mass438.16
IUPAC Name4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide
SMILESO=C(NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2)C1COCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O5S/c22-16-1-3-17(4-2-16)30(27,28)24-5-6-29-12-18(24)20(25)23-19-14-7-13-8-15(19)11-21(26,9-13)10-14/h1-4,13-15,18-19,26H,5-12H2,(H,23,25)/t13?,14-,15+,18?,19?,21?
InChIKeyAKMNTFQUKXLHLR-GLFNZEPASA-N
XLogP1.27
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]pyrrolidine-2-carboxamide
CID 16730452
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
3-(3-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 16730631
(2S)-1-(4-fluorophenyl)sulfonyl-N-(5-hydroxy-2-adamantyl)-2-prop-2-enylpyrrolidine-2-carboxamide
CID 71532689
3-(3,4-dichlorophenyl)sulfonyl-N-(5-hydroxy-2-adamantyl)-1,3-thiazolidine-2-carboxamide
CID 53317318
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-(5-hydroxy-2-adamantyl)piperidine-2-carboxamide
CID 90643789
(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide
CID 18345614
(3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide
CID 18345616
(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 40797428
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
(3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide
CID 18345613
N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide
CID 24955047

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide (CID 16730453) is 4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide is O=C(NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2)C1COCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide?
The InChIKey is AKMNTFQUKXLHLR-GLFNZEPASA-N. The full InChI is InChI=1S/C21H27FN2O5S/c22-16-1-3-17(4-2-16)30(27,28)24-5-6-29-12-18(24)20(25)23-19-14-7-13-8-15(19)11-21(26,9-13)10-14/h1-4,13-15,18-19,26H,5-12H2,(H,23,25)/t13?,14-,15+,18?,19?,21?.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide?
4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide is sourced from PubChem (CID 16730453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).