4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide

C22H19ClN2O2S — CID 137172349

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1O
InChIInChI=1S/C22H19ClN2O2S/c1-15(20-4-2-3-5-21(20)26)24-25-22(27)17-8-6-16(7-9-17)14-28-19-12-10-18(23)11-13-19/h2-13,26H,14H2,1H3,(H,25,27)/b24-15-
InChIKeyOASFJWRUHARIKG-IWIPYMOSSA-N
MW410.93 g/mol
LogP5.49
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide

4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 137172349) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID137172349
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1O
InChIInChI=1S/C22H19ClN2O2S/c1-15(20-4-2-3-5-21(20)26)24-25-22(27)17-8-6-16(7-9-17)14-28-19-12-10-18(23)11-13-19/h2-13,26H,14H2,1H3,(H,25,27)/b24-15-
InChIKeyOASFJWRUHARIKG-IWIPYMOSSA-N
XLogP5.49
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.93
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(4-iodophenyl)ethylideneamino]benzamide
CID 124544511
4-[(4-chlorophenyl)sulfanylmethyl]-N-(1-pyridin-3-ylethylideneamino)benzamide
CID 3900652
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135558333
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135445579
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137153590
4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 95180952
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 9239850
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-tert-butyl-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7987976

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide (CID 137172349) is 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1O.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is OASFJWRUHARIKG-IWIPYMOSSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c1-15(20-4-2-3-5-21(20)26)24-25-22(27)17-8-6-16(7-9-17)14-28-19-12-10-18(23)11-13-19/h2-13,26H,14H2,1H3,(H,25,27)/b24-15-.
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide has a molecular weight of 410.93 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 137172349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).