(2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone

C12H9NO4S2 — CID 155812803

IUPAC(2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone
SMILESO=C(/C(=N/O)S(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C12H9NO4S2/c14-11(10-7-4-8-18-10)12(13-15)19(16,17)9-5-2-1-3-6-9/h1-8,15H/b13-12-
InChIKeyLYNQJQPFYUOLJS-SEYXRHQNSA-N
MW295.34 g/mol
LogP2.19
Rot. Bonds3

About (2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone

(2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone (PubChem CID 155812803) has the molecular formula C12H9NO4S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name(2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone
PubChem CID155812803
Molecular FormulaC12H9NO4S2
Molecular Weight295.34 g/mol
Exact Mass295.00
IUPAC Name(2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone
SMILESO=C(/C(=N/O)S(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C12H9NO4S2/c14-11(10-7-4-8-18-10)12(13-15)19(16,17)9-5-2-1-3-6-9/h1-8,15H/b13-12-
InChIKeyLYNQJQPFYUOLJS-SEYXRHQNSA-N
XLogP2.19
TPSA83.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
2-phenyl-1-thiophen-2-ylprop-2-en-1-one
CID 3007406
(1-thiophen-2-ylethylideneamino) benzenesulfonate
CID 87078851
N-(dithiophen-2-ylmethylidene)hydroxylamine
CID 2775140
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
formaldehyde;thiophene-2-carboxylic acid
CID 158716916
2,3-dimethyl-1-thiophen-2-ylbut-2-en-1-one
CID 131801030
N-benzyl-2-oxo-2-thiophen-2-ylacetamide
CID 13301283
(2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile
CID 177341652
N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide
CID 82118278
[4-[(Z)-benzenesulfonyliminomethyl]phenyl] thiophene-2-carboxylate
CID 110518798

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone?
The IUPAC name of (2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone (CID 155812803) is (2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone.
What is the SMILES notation for (2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone?
The canonical SMILES for (2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone is O=C(/C(=N/O)S(=O)(=O)c1ccccc1)c1cccs1.
What is the InChIKey of (2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone?
The InChIKey is LYNQJQPFYUOLJS-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H9NO4S2/c14-11(10-7-4-8-18-10)12(13-15)19(16,17)9-5-2-1-3-6-9/h1-8,15H/b13-12-.
What are the key properties of (2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone?
(2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone has a molecular weight of 295.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone is sourced from PubChem (CID 155812803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).