2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide

C14H12BrClN2S — CID 114884449

IUPAC2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN2S/c15-11-2-1-3-12(13(11)14(17)18)19-8-9-4-6-10(16)7-5-9/h1-7H,8H2,(H3,17,18)
InChIKeyWPSOBXXVHLBREK-UHFFFAOYSA-N
MW355.69 g/mol
LogP4.68
Rot. Bonds4

About 2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide

2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide (PubChem CID 114884449) has the molecular formula C14H12BrClN2S and a molecular weight of 355.69 g/mol. Its IUPAC name is 2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
PubChem CID114884449
Molecular FormulaC14H12BrClN2S
Molecular Weight355.69 g/mol
Exact Mass353.96
IUPAC Name2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN2S/c15-11-2-1-3-12(13(11)14(17)18)19-8-9-4-6-10(16)7-5-9/h1-7H,8H2,(H3,17,18)
InChIKeyWPSOBXXVHLBREK-UHFFFAOYSA-N
XLogP4.68
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 54.68
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'}

Analyze 2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide 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

2-bromo-6-ethylsulfanylbenzenecarboximidamide
CID 114884380
2-bromo-6-methylsulfanylbenzenecarboximidamide
CID 114884401
2-bromo-6-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107750121
2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114884393
5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790495
3-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790503
2-chloro-6-ethylsulfanylbenzenecarboximidamide
CID 62495699
2-amino-6-bromobenzenecarboximidamide
CID 114883758
4-[(4-chlorophenyl)methylsulfanyl]-3,5-difluorobenzenecarboximidamide
CID 114790509
2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522375
2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide
CID 62494952
2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
CID 114884443

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide?
The IUPAC name of 2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide (CID 114884449) is 2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide?
The canonical SMILES for 2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1SCc1ccc(Cl)cc1.
What is the InChIKey of 2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide?
The InChIKey is WPSOBXXVHLBREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2S/c15-11-2-1-3-12(13(11)14(17)18)19-8-9-4-6-10(16)7-5-9/h1-7H,8H2,(H3,17,18).
What are the key properties of 2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide?
2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide has a molecular weight of 355.69 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide is sourced from PubChem (CID 114884449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).