N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H12ClN3O3S — CID 12873201

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O3S/c1-8-12(9(2)19-15-8)20(17,18)16-14-7-10-3-5-11(13)6-4-10/h3-7,16H,1-2H3/b14-7+
InChIKeyOAJHEUBBUUESAO-VGOFMYFVSA-N
MW313.77 g/mol
LogP2.26
Rot. Bonds4

About N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 12873201) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID12873201
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O3S/c1-8-12(9(2)19-15-8)20(17,18)16-14-7-10-3-5-11(13)6-4-10/h3-7,16H,1-2H3/b14-7+
InChIKeyOAJHEUBBUUESAO-VGOFMYFVSA-N
XLogP2.26
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
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 N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide 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

(E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylprop-2-enamide
CID 60501669
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide
CID 3594304
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113012335
N-[(3-chloro-2,6-difluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3829002
4-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 5431289
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
methyl 4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]benzoate
CID 5009121
N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113456930

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 12873201) is N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is OAJHEUBBUUESAO-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-8-12(9(2)19-15-8)20(17,18)16-14-7-10-3-5-11(13)6-4-10/h3-7,16H,1-2H3/b14-7+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 313.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 12873201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).