(4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate

C19H13Cl2NO2S2 — CID 6384363

IUPAC(4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
SMILESO=S(=O)(/N=C(/Sc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2NO2S2/c20-15-6-10-17(11-7-15)25-19(14-4-2-1-3-5-14)22-26(23,24)18-12-8-16(21)9-13-18/h1-13H/b22-19+
InChIKeyGLZKSVMPGRJNAC-ZBJSNUHESA-N
MW422.36 g/mol
LogP5.92
Rot. Bonds4

About (4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate

(4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate (PubChem CID 6384363) has the molecular formula C19H13Cl2NO2S2 and a molecular weight of 422.36 g/mol. Its IUPAC name is (4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate.

Molecular Properties

Compound Name(4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
PubChem CID6384363
Molecular FormulaC19H13Cl2NO2S2
Molecular Weight422.36 g/mol
Exact Mass420.98
IUPAC Name(4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
SMILESO=S(=O)(/N=C(/Sc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2NO2S2/c20-15-6-10-17(11-7-15)25-19(14-4-2-1-3-5-14)22-26(23,24)18-12-8-16(21)9-13-18/h1-13H/b22-19+
InChIKeyGLZKSVMPGRJNAC-ZBJSNUHESA-N
XLogP5.92
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.36
LogP ≤ 55.92
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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Related Compounds

phenyl N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 2305334
(4-methylphenyl) N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 2305333
methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 5414602
N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 555502
(3-methylphenyl) (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate
CID 5436294
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
1-chloro-4-[(Z)-2-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-2-phenylethenyl]benzene
CID 56956585
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703
propan-2-yl N-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]-1-methylsulfanylmethanimidate
CID 6851130
N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 2331143

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate?
The IUPAC name of (4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate (CID 6384363) is (4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate.
What is the SMILES notation for (4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate?
The canonical SMILES for (4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate is O=S(=O)(/N=C(/Sc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate?
The InChIKey is GLZKSVMPGRJNAC-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H13Cl2NO2S2/c20-15-6-10-17(11-7-15)25-19(14-4-2-1-3-5-14)22-26(23,24)18-12-8-16(21)9-13-18/h1-13H/b22-19+.
What are the key properties of (4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate?
(4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate has a molecular weight of 422.36 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate is sourced from PubChem (CID 6384363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).