4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide

C14H13ClN2O2S — CID 3611854

IUPAC4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C/N=C/c2ccccc2Cl)cc1
InChIInChI=1S/C14H13ClN2O2S/c15-14-4-2-1-3-12(14)10-17-9-11-5-7-13(8-6-11)20(16,18)19/h1-8,10H,9H2,(H2,16,18,19)/b17-10+
InChIKeyMWGDDWNEPUZTKP-LICLKQGHSA-N
MW308.79 g/mol
LogP2.61
Rot. Bonds4

About 4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide

4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide (PubChem CID 3611854) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide
PubChem CID3611854
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C/N=C/c2ccccc2Cl)cc1
InChIInChI=1S/C14H13ClN2O2S/c15-14-4-2-1-3-12(14)10-17-9-11-5-7-13(8-6-11)20(16,18)19/h1-8,10H,9H2,(H2,16,18,19)/b17-10+
InChIKeyMWGDDWNEPUZTKP-LICLKQGHSA-N
XLogP2.61
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-((Benzylideneamino)methyl)benzenesulfonamide
CID 45483206
N-(4-Chlorobenzylidene)-4-methylbenzenesulfonamide
CID 5706324
N'-(2-chloro-6-fluorobenzylidene)benzenesulfonohydrazide
CID 6897306
N'-(2-chloro-6-fluorobenzylidene)-4-methylbenzenesulfonohydrazide
CID 6898016
4-{2-[(E)-Benzylideneamino]ethyl}benzene-1-sulfonamide
CID 71415156
4-[(Benzylideneamino)methyl]benzenesulfonamide;hydrochloride
CID 90677341
(1-Aza-2-(2-chlorophenyl)vinyl)((4-methylphenyl)sulfonyl)amine
CID 315213
N'-(4-Chlorobenzylidene)-4-methylbenzenesulfonohydrazide
CID 6861424
N-[(4-chlorophenyl)methylidene]-4-methylbenzenesulfonamide
CID 2755675
N'-[(3-chlorophenyl)methylidene]benzenesulfonohydrazide
CID 343078
4-chloro-N'-[(4-methylphenyl)sulfonyl]benzenecarboximidamide
CID 9630702
1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine
CID 46881321

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide (CID 3611854) is 4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C/N=C/c2ccccc2Cl)cc1.
What is the InChIKey of 4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide?
The InChIKey is MWGDDWNEPUZTKP-LICLKQGHSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-14-4-2-1-3-12(14)10-17-9-11-5-7-13(8-6-11)20(16,18)19/h1-8,10H,9H2,(H2,16,18,19)/b17-10+.
What are the key properties of 4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide?
4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide has a molecular weight of 308.79 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-chlorophenyl)methylideneamino]methyl]benzenesulfonamide is sourced from PubChem (CID 3611854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).