N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide

C20H15ClN2OS — CID 3521596

IUPACN-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C20H15ClN2OS/c21-17-8-12-19(13-9-17)25-18-10-6-15(7-11-18)14-22-23-20(24)16-4-2-1-3-5-16/h1-14H,(H,23,24)
InChIKeyAFSMRUNLKNMEEQ-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.26
Rot. Bonds5

About N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide

N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide (PubChem CID 3521596) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
PubChem CID3521596
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC NameN-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C20H15ClN2OS/c21-17-8-12-19(13-9-17)25-18-10-6-15(7-11-18)14-22-23-20(24)16-4-2-1-3-5-16/h1-14H,(H,23,24)
InChIKeyAFSMRUNLKNMEEQ-UHFFFAOYSA-N
XLogP5.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide
CID 126197594
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]pyridine-3-carboxamide
CID 126111355
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide
CID 126110640
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-(2,5-dimethylpyrrol-1-yl)benzamide
CID 126115211
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide
CID 126225088
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 6882945
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126217149

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide?
The IUPAC name of N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide (CID 3521596) is N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide is O=C(NN=Cc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide?
The InChIKey is AFSMRUNLKNMEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c21-17-8-12-19(13-9-17)25-18-10-6-15(7-11-18)14-22-23-20(24)16-4-2-1-3-5-16/h1-14H,(H,23,24).
What are the key properties of N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide?
N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide has a molecular weight of 366.87 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide is sourced from PubChem (CID 3521596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).