methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate

C14H12ClNO2S2 — CID 5414602

IUPACmethyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
SMILESCS/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H12ClNO2S2/c1-19-14(11-5-3-2-4-6-11)16-20(17,18)13-9-7-12(15)8-10-13/h2-10H,1H3/b16-14-
InChIKeyVGDZMTPRYSCKAG-PEZBUJJGSA-N
MW325.84 g/mol
LogP3.84
Rot. Bonds3

About methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate

methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate (PubChem CID 5414602) has the molecular formula C14H12ClNO2S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate.

Molecular Properties

Compound Namemethyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
PubChem CID5414602
Molecular FormulaC14H12ClNO2S2
Molecular Weight325.84 g/mol
Exact Mass325.00
IUPAC Namemethyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
SMILESCS/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H12ClNO2S2/c1-19-14(11-5-3-2-4-6-11)16-20(17,18)13-9-7-12(15)8-10-13/h2-10H,1H3/b16-14-
InChIKeyVGDZMTPRYSCKAG-PEZBUJJGSA-N
XLogP3.84
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.84
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate?
The IUPAC name of methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate (CID 5414602) is methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate.
What is the SMILES notation for methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate?
The canonical SMILES for methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate is CS/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate?
The InChIKey is VGDZMTPRYSCKAG-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H12ClNO2S2/c1-19-14(11-5-3-2-4-6-11)16-20(17,18)13-9-7-12(15)8-10-13/h2-10H,1H3/b16-14-.
What are the key properties of methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate?
methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate has a molecular weight of 325.84 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate is sourced from PubChem (CID 5414602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).