methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate

C15H15NO2S2 — CID 5408818

IUPACmethyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
SMILESCS/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C15H15NO2S2/c1-12-8-10-14(11-9-12)20(17,18)16-15(19-2)13-6-4-3-5-7-13/h3-11H,1-2H3/b16-15+
InChIKeyRIAJWEVFEKTNJU-FOCLMDBBSA-N
MW305.42 g/mol
LogP3.49
Rot. Bonds3

About methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate

methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate (PubChem CID 5408818) has the molecular formula C15H15NO2S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate.

Molecular Properties

Compound Namemethyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
PubChem CID5408818
Molecular FormulaC15H15NO2S2
Molecular Weight305.42 g/mol
Exact Mass305.05
IUPAC Namemethyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
SMILESCS/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C15H15NO2S2/c1-12-8-10-14(11-9-12)20(17,18)16-15(19-2)13-6-4-3-5-7-13/h3-11H,1-2H3/b16-15+
InChIKeyRIAJWEVFEKTNJU-FOCLMDBBSA-N
XLogP3.49
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate 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

methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 5414602
(4-methylphenyl) N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 2305333
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
N'-(4-methylphenyl)sulfonyl-N-[4-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]iminocyclohexa-2,5-dien-1-ylidene]benzenecarboximidamide
CID 75408906
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
(3-methylphenyl) (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate
CID 5436294
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
N'-(4-methylphenyl)sulfonyl-N-[4-[[4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenyl]methyl]phenyl]benzenecarboximidamide
CID 4704513
4-methyl-N'-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 2303263
N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 11835108

Frequently Asked Questions

What is the IUPAC name of methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate?
The IUPAC name of methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate (CID 5408818) is methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate.
What is the SMILES notation for methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate?
The canonical SMILES for methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate is CS/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate?
The InChIKey is RIAJWEVFEKTNJU-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H15NO2S2/c1-12-8-10-14(11-9-12)20(17,18)16-15(19-2)13-6-4-3-5-7-13/h3-11H,1-2H3/b16-15+.
What are the key properties of methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate?
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate has a molecular weight of 305.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate is sourced from PubChem (CID 5408818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).