N-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide

C20H16N2O5S2 — CID 23297849

IUPACN-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide
SMILESO=C(NO)C(NS(=O)(=O)c1ccc2c(c1)Sc1ccccc1O2)c1ccccc1
InChIInChI=1S/C20H16N2O5S2/c23-20(21-24)19(13-6-2-1-3-7-13)22-29(25,26)14-10-11-16-18(12-14)28-17-9-5-4-8-15(17)27-16/h1-12,19,22,24H,(H,21,23)
InChIKeyWOOOIJMUCYGXFB-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.47
Rot. Bonds5

About N-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide

N-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide (PubChem CID 23297849) has the molecular formula C20H16N2O5S2 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide
PubChem CID23297849
Molecular FormulaC20H16N2O5S2
Molecular Weight428.49 g/mol
Exact Mass428.05
IUPAC NameN-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide
SMILESO=C(NO)C(NS(=O)(=O)c1ccc2c(c1)Sc1ccccc1O2)c1ccccc1
InChIInChI=1S/C20H16N2O5S2/c23-20(21-24)19(13-6-2-1-3-7-13)22-29(25,26)14-10-11-16-18(12-14)28-17-9-5-4-8-15(17)27-16/h1-12,19,22,24H,(H,21,23)
InChIKeyWOOOIJMUCYGXFB-UHFFFAOYSA-N
XLogP3.47
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.47
H-Bond Donors ≤ 53
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

(2S)-2-(phenoxathiin-2-ylsulfonylamino)-4-phenylbutanoic acid
CID 15487605
3-(4-hydroxyphenyl)-2-(phenoxathiin-2-ylsulfonylamino)propanoic acid
CID 23297841
2-[[2-(hydroxyamino)-2-oxo-1-phenylethyl]-sulfinatoamino]phenoxathiine
CID 57240119
(2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide
CID 110286688
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 70638313
2-[[1-(hydroxyamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-sulfinatoamino]phenoxathiine
CID 57017821
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
(2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate
CID 6973917
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-phenylacetamide
CID 51291589

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide?
The IUPAC name of N-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide (CID 23297849) is N-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide.
What is the SMILES notation for N-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide?
The canonical SMILES for N-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide is O=C(NO)C(NS(=O)(=O)c1ccc2c(c1)Sc1ccccc1O2)c1ccccc1.
What is the InChIKey of N-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide?
The InChIKey is WOOOIJMUCYGXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S2/c23-20(21-24)19(13-6-2-1-3-7-13)22-29(25,26)14-10-11-16-18(12-14)28-17-9-5-4-8-15(17)27-16/h1-12,19,22,24H,(H,21,23).
What are the key properties of N-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide?
N-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide has a molecular weight of 428.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(phenoxathiin-2-ylsulfonylamino)-2-phenylacetamide is sourced from PubChem (CID 23297849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).