N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide

C19H22N2O6S — CID 54208613

IUPACN-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O6S/c22-19(16-10-12-26-13-11-16)21(23)20-28(24,25)18-8-6-17(7-9-18)27-14-15-4-2-1-3-5-15/h1-9,16,20,23H,10-14H2
InChIKeyPUHZQQOWSZDESK-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.10
Rot. Bonds7

About N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide

N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide (PubChem CID 54208613) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide
PubChem CID54208613
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC NameN-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O6S/c22-19(16-10-12-26-13-11-16)21(23)20-28(24,25)18-8-6-17(7-9-18)27-14-15-4-2-1-3-5-15/h1-9,16,20,23H,10-14H2
InChIKeyPUHZQQOWSZDESK-UHFFFAOYSA-N
XLogP2.10
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide
CID 54135148
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide
CID 54115933
N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide
CID 56502746
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N,6-dihydroxy-6-methyloxane-3-carboxamide
CID 54063565
N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
CID 26982271
N-[4-methyl-1-oxo-1-(1,4,7-trioxa-10-azacyclododec-10-yl)pentan-2-yl]-4-phenylmethoxybenzenesulfonamide
CID 155168559
4-phenylmethoxybenzenesulfonic acid;hydrochloride
CID 174829629
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
2-(4-phenylmethoxyphenyl)sulfonylphenol
CID 14178379
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide
CID 139362356
1,3-bis[[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]methyl]benzene
CID 139826967

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide?
The IUPAC name of N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide (CID 54208613) is N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide?
The canonical SMILES for N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide is O=C(C1CCOCC1)N(O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide?
The InChIKey is PUHZQQOWSZDESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c22-19(16-10-12-26-13-11-16)21(23)20-28(24,25)18-8-6-17(7-9-18)27-14-15-4-2-1-3-5-15/h1-9,16,20,23H,10-14H2.
What are the key properties of N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide?
N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide is sourced from PubChem (CID 54208613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).