4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide

C20H15ClN2OS — CID 126197594

IUPAC4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(Sc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2OS/c21-17-10-8-16(9-11-17)20(24)23-22-14-15-6-12-19(13-7-15)25-18-4-2-1-3-5-18/h1-14H,(H,23,24)/b22-14-
InChIKeyWNBFVMDBAXFGNT-HMAPJEAMSA-N
MW366.87 g/mol
LogP5.26
Rot. Bonds5

About 4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide

4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide (PubChem CID 126197594) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide
PubChem CID126197594
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC Name4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(Sc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2OS/c21-17-10-8-16(9-11-17)20(24)23-22-14-15-6-12-19(13-7-15)25-18-4-2-1-3-5-18/h1-14H,(H,23,24)/b22-14-
InChIKeyWNBFVMDBAXFGNT-HMAPJEAMSA-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

N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
CID 3521596
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]pyridine-3-carboxamide
CID 126111355
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide
CID 126225088
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide
CID 126110640
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 6882945
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-(2,5-dimethylpyrrol-1-yl)benzamide
CID 126115211
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126217149

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide (CID 126197594) is 4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(Sc2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide?
The InChIKey is WNBFVMDBAXFGNT-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c21-17-10-8-16(9-11-17)20(24)23-22-14-15-6-12-19(13-7-15)25-18-4-2-1-3-5-18/h1-14H,(H,23,24)/b22-14-.
What are the key properties of 4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)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 4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 126197594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).