2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide

C16H11ClN2O2S — CID 135576830

IUPAC2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1sc2ccccc2c1O)c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O2S/c17-12-7-3-1-5-10(12)16(21)19-18-9-14-15(20)11-6-2-4-8-13(11)22-14/h1-9,20H,(H,19,21)/b18-9+
InChIKeySUVPFDJQJOQWIX-GIJQJNRQSA-N
MW330.80 g/mol
LogP4.02
Rot. Bonds3

About 2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide

2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide (PubChem CID 135576830) has the molecular formula C16H11ClN2O2S and a molecular weight of 330.80 g/mol. Its IUPAC name is 2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide
PubChem CID135576830
Molecular FormulaC16H11ClN2O2S
Molecular Weight330.80 g/mol
Exact Mass330.02
IUPAC Name2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1sc2ccccc2c1O)c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O2S/c17-12-7-3-1-5-10(12)16(21)19-18-9-14-15(20)11-6-2-4-8-13(11)22-14/h1-9,20H,(H,19,21)/b18-9+
InChIKeySUVPFDJQJOQWIX-GIJQJNRQSA-N
XLogP4.02
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', '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

2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
2-chloro-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
CID 4192848
N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
CID 715930
2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136749231
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066622
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
2-chloro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 904379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide (CID 135576830) is 2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide is O=C(N/N=C/c1sc2ccccc2c1O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide?
The InChIKey is SUVPFDJQJOQWIX-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H11ClN2O2S/c17-12-7-3-1-5-10(12)16(21)19-18-9-14-15(20)11-6-2-4-8-13(11)22-14/h1-9,20H,(H,19,21)/b18-9+.
What are the key properties of 2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide?
2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide has a molecular weight of 330.80 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 135576830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).