(3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide

C16H17N3O6S — CID 18345616

IUPAC(3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide
SMILESO=C(NO)[C@H]1COCCN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C16H17N3O6S/c20-16(18-21)15-11-24-10-9-19(15)26(22,23)14-3-1-12(2-4-14)25-13-5-7-17-8-6-13/h1-8,15,21H,9-11H2,(H,18,20)/t15-/m1/s1
InChIKeyOMVRYWZYELUBQM-OAHLLOKOSA-N
MW379.39 g/mol
LogP0.77
Rot. Bonds5

About (3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide

(3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide (PubChem CID 18345616) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is (3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide
PubChem CID18345616
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name(3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide
SMILESO=C(NO)[C@H]1COCCN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C16H17N3O6S/c20-16(18-21)15-11-24-10-9-19(15)26(22,23)14-3-1-12(2-4-14)25-13-5-7-17-8-6-13/h1-8,15,21H,9-11H2,(H,18,20)/t15-/m1/s1
InChIKeyOMVRYWZYELUBQM-OAHLLOKOSA-N
XLogP0.77
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide
CID 18345614
(3R)-N-hydroxy-4-[4-[4-(1H-imidazol-2-yl)phenoxy]phenyl]sulfonylmorpholine-3-carboxamide
CID 18345613
(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 18659875
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 22592870
N-hydroxy-2-(4-pyridin-4-yloxyphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1-carboxamide;2,2,2-trifluoroacetic acid
CID 11226558
4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide
CID 114613914
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide
CID 83098838
methyl (3S)-2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonylthiomorpholine-3-carboxylate
CID 18345631
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
CID 10716486
(2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide
CID 10789671
4-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]morpholine-3-carboxamide
CID 16730453

Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide?
The IUPAC name of (3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide (CID 18345616) is (3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide?
The canonical SMILES for (3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide is O=C(NO)[C@H]1COCCN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of (3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide?
The InChIKey is OMVRYWZYELUBQM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17N3O6S/c20-16(18-21)15-11-24-10-9-19(15)26(22,23)14-3-1-12(2-4-14)25-13-5-7-17-8-6-13/h1-8,15,21H,9-11H2,(H,18,20)/t15-/m1/s1.
What are the key properties of (3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide?
(3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide is sourced from PubChem (CID 18345616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).