4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide

C14H13ClN2S — CID 55179845

IUPAC4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Sc1ccc(C)cc1
InChIInChI=1S/C14H13ClN2S/c1-9-2-5-11(6-3-9)18-13-8-10(15)4-7-12(13)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyPDWNQBIUWSHKTJ-UHFFFAOYSA-N
MW276.79 g/mol
LogP4.08
Rot. Bonds3

About 4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide

4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide (PubChem CID 55179845) has the molecular formula C14H13ClN2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
PubChem CID55179845
Molecular FormulaC14H13ClN2S
Molecular Weight276.79 g/mol
Exact Mass276.05
IUPAC Name4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1Sc1ccc(C)cc1
InChIInChI=1S/C14H13ClN2S/c1-9-2-5-11(6-3-9)18-13-8-10(15)4-7-12(13)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyPDWNQBIUWSHKTJ-UHFFFAOYSA-N
XLogP4.08
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 54.08
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'}

Analyze 4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide 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

4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63093373
4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
CID 55180228
5-bromo-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 114893594
4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81302483
2-(2-fluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306806
4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 43320980
4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzenecarboximidamide
CID 63092185
4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
CID 62306812
4-chloro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 66104275
2-bromo-4-(2,5-dichlorophenyl)sulfanyl-3-fluorobenzenecarboximidamide
CID 107537045
2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306987
4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
CID 65043483

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide (CID 55179845) is 4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1Sc1ccc(C)cc1.
What is the InChIKey of 4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is PDWNQBIUWSHKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2S/c1-9-2-5-11(6-3-9)18-13-8-10(15)4-7-12(13)14(16)17/h2-8H,1H3,(H3,16,17).
What are the key properties of 4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide?
4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 276.79 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 55179845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).