2-(Benzylideneamino)ethanesulfonamide

C9H12N2O2S — CID 45483186

IUPAC2-(benzylideneamino)ethanesulfonamide
SMILESC1=CC=C(C=C1)C=NCCS(=O)(=O)N
InChIInChI=1S/C9H12N2O2S/c10-14(12,13)7-6-11-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,10,12,13)
InChIKeyTZIDZFKPPIWVBP-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.20
Rot. Bonds4

About 2-(Benzylideneamino)ethanesulfonamide

2-(Benzylideneamino)ethanesulfonamide (PubChem CID 45483186) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(benzylideneamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(Benzylideneamino)ethanesulfonamide
PubChem CID45483186
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-(benzylideneamino)ethanesulfonamide
SMILESC1=CC=C(C=C1)C=NCCS(=O)(=O)N
InChIInChI=1S/C9H12N2O2S/c10-14(12,13)7-6-11-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,10,12,13)
InChIKeyTZIDZFKPPIWVBP-UHFFFAOYSA-N
XLogP0.20
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity274

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzenesulfonic acid, benzylidenehydrazide
CID 6863031
2-(4-Tert-butylbenzylideneamino)ethanesulfonamide
CID 45483187
N-Benzylidenebenzenesulfonamide
CID 555202
Benzenesulfonamide, N-(phenylmethylene)-
CID 9602006
(S)-N-benzylidene-2-methylpropane-2-sulfinamide
CID 68520932
(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide
CID 135035056
Methanesulfonic acid, 2-[phenylmethylene]hydrazide
CID 6895714
n-Benzylidenemethanesulfonamide
CID 11084533
N-(4-Fluorobenzylidene)methanesulfonamide
CID 9581565
N-(3-methyl-1,1-dioxothiolan-3-yl)-1-phenylmethanimine
CID 5236211
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide
CID 5333849
(NE)-N-benzylidene-1-phenylmethanesulfonamide
CID 9555243

Frequently Asked Questions

What is the IUPAC name of 2-(Benzylideneamino)ethanesulfonamide?
The IUPAC name of 2-(Benzylideneamino)ethanesulfonamide (CID 45483186) is 2-(benzylideneamino)ethanesulfonamide.
What is the SMILES notation for 2-(Benzylideneamino)ethanesulfonamide?
The canonical SMILES for 2-(Benzylideneamino)ethanesulfonamide is C1=CC=C(C=C1)C=NCCS(=O)(=O)N.
What is the InChIKey of 2-(Benzylideneamino)ethanesulfonamide?
The InChIKey is TZIDZFKPPIWVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c10-14(12,13)7-6-11-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,10,12,13).
What are the key properties of 2-(Benzylideneamino)ethanesulfonamide?
2-(Benzylideneamino)ethanesulfonamide has a molecular weight of 212.27 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Benzylideneamino)ethanesulfonamide is sourced from PubChem (CID 45483186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).