N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

C18H14ClN3O4S2 — CID 2118005

IUPACN-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NN=Cc1cc(Cl)ccc1O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H14ClN3O4S2/c19-13-7-8-16(23)12(10-13)11-20-21-18(24)14-4-1-2-5-15(14)22-28(25,26)17-6-3-9-27-17/h1-11,22-23H,(H,21,24)
InChIKeyPOSYUJQFCWGVAJ-UHFFFAOYSA-N
MW435.91 g/mol
LogP3.67
Rot. Bonds6

About N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2118005) has the molecular formula C18H14ClN3O4S2 and a molecular weight of 435.91 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2118005
Molecular FormulaC18H14ClN3O4S2
Molecular Weight435.91 g/mol
Exact Mass435.01
IUPAC NameN-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NN=Cc1cc(Cl)ccc1O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H14ClN3O4S2/c19-13-7-8-16(23)12(10-13)11-20-21-18(24)14-4-1-2-5-15(14)22-28(25,26)17-6-3-9-27-17/h1-11,22-23H,(H,21,24)
InChIKeyPOSYUJQFCWGVAJ-UHFFFAOYSA-N
XLogP3.67
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4139970
N-[(Z)-(3-methylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6300716
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6305629
N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908136
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908128
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594386
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 728473
N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594546
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 6154481
N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4537987
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 136919028

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 2118005) is N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is O=C(NN=Cc1cc(Cl)ccc1O)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is POSYUJQFCWGVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4S2/c19-13-7-8-16(23)12(10-13)11-20-21-18(24)14-4-1-2-5-15(14)22-28(25,26)17-6-3-9-27-17/h1-11,22-23H,(H,21,24).
What are the key properties of N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 435.91 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2118005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).