3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide

C13H9Cl3N2S — CID 55223593

IUPAC3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3N2S/c14-8-2-3-9(15)12(6-8)19-11-4-1-7(13(17)18)5-10(11)16/h1-6H,(H3,17,18)
InChIKeyWZPMDBSZIJLROG-UHFFFAOYSA-N
MW331.66 g/mol
LogP5.08
Rot. Bonds3

About 3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide

3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide (PubChem CID 55223593) has the molecular formula C13H9Cl3N2S and a molecular weight of 331.66 g/mol. Its IUPAC name is 3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide
PubChem CID55223593
Molecular FormulaC13H9Cl3N2S
Molecular Weight331.66 g/mol
Exact Mass329.96
IUPAC Name3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3N2S/c14-8-2-3-9(15)12(6-8)19-11-4-1-7(13(17)18)5-10(11)16/h1-6H,(H3,17,18)
InChIKeyWZPMDBSZIJLROG-UHFFFAOYSA-N
XLogP5.08
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.66
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63087256
3-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790503
2-bromo-4-(2,5-dichlorophenyl)sulfanyl-3-fluorobenzenecarboximidamide
CID 107537045
3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide
CID 63087084
2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
CID 107551733
3-chloro-4-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107750100
3-chloro-4-(cyclopentylmethylsulfanyl)benzenecarboximidamide
CID 55176767
5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
CID 29298573
(1S)-1-[3-chloro-4-(2,5-dichlorophenyl)sulfanylphenyl]ethanamine
CID 78944427
3-chloro-4-(hydroxymethyl)benzenecarboximidamide
CID 102668142
4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63093373
4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 55179845

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide (CID 55223593) is 3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Sc2cc(Cl)ccc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide?
The InChIKey is WZPMDBSZIJLROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2S/c14-8-2-3-9(15)12(6-8)19-11-4-1-7(13(17)18)5-10(11)16/h1-6H,(H3,17,18).
What are the key properties of 3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide?
3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide has a molecular weight of 331.66 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 55223593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).