(1-thiophen-2-ylethylideneamino) benzenesulfonate

C12H11NO3S2 — CID 87078851

IUPAC(1-thiophen-2-ylethylideneamino) benzenesulfonate
SMILESCC(=NOS(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C12H11NO3S2/c1-10(12-8-5-9-17-12)13-16-18(14,15)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyCSKQWVPNXLZKGG-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.88
Rot. Bonds4

About (1-thiophen-2-ylethylideneamino) benzenesulfonate

(1-thiophen-2-ylethylideneamino) benzenesulfonate (PubChem CID 87078851) has the molecular formula C12H11NO3S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (1-thiophen-2-ylethylideneamino) benzenesulfonate.

Molecular Properties

Compound Name(1-thiophen-2-ylethylideneamino) benzenesulfonate
PubChem CID87078851
Molecular FormulaC12H11NO3S2
Molecular Weight281.36 g/mol
Exact Mass281.02
IUPAC Name(1-thiophen-2-ylethylideneamino) benzenesulfonate
SMILESCC(=NOS(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C12H11NO3S2/c1-10(12-8-5-9-17-12)13-16-18(14,15)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyCSKQWVPNXLZKGG-UHFFFAOYSA-N
XLogP2.88
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1-thiophen-2-ylethylideneamino) benzenesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-phenylethylideneamino) benzenesulfonate
CID 86155707
[(E)-1-(5-acetamidothiophen-2-yl)ethylideneamino] benzenesulfonate
CID 135671994
[(E)-[(6E)-4,6-bis(benzenesulfonyloxyimino)heptan-2-ylidene]amino] benzenesulfonate
CID 87328764
(4-oxohexan-2-ylideneamino) benzenesulfonate
CID 173378651
[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate
CID 144681395
[(E)-3-oxohexan-2-ylideneamino] benzenesulfonate
CID 88531734
N-(benzylideneamino)-1-thiophen-2-ylethanimine
CID 4212396
[1-(3-cyano-1-methylpyrrol-2-yl)ethylideneamino] benzenesulfonate
CID 140887393
N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide
CID 4280753
nitroso benzenesulfonate
CID 88672539
(2Z)-2-(benzenesulfonyl)-2-hydroxyimino-1-thiophen-2-ylethanone
CID 155812803
[(E)-[amino(phenoxy)methylidene]amino] benzenesulfonate
CID 54598389

Frequently Asked Questions

What is the IUPAC name of (1-thiophen-2-ylethylideneamino) benzenesulfonate?
The IUPAC name of (1-thiophen-2-ylethylideneamino) benzenesulfonate (CID 87078851) is (1-thiophen-2-ylethylideneamino) benzenesulfonate.
What is the SMILES notation for (1-thiophen-2-ylethylideneamino) benzenesulfonate?
The canonical SMILES for (1-thiophen-2-ylethylideneamino) benzenesulfonate is CC(=NOS(=O)(=O)c1ccccc1)c1cccs1.
What is the InChIKey of (1-thiophen-2-ylethylideneamino) benzenesulfonate?
The InChIKey is CSKQWVPNXLZKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S2/c1-10(12-8-5-9-17-12)13-16-18(14,15)11-6-3-2-4-7-11/h2-9H,1H3.
What are the key properties of (1-thiophen-2-ylethylideneamino) benzenesulfonate?
(1-thiophen-2-ylethylideneamino) benzenesulfonate has a molecular weight of 281.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thiophen-2-ylethylideneamino) benzenesulfonate is sourced from PubChem (CID 87078851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).