N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide

C17H15N5O3S — CID 155562815

IUPACN-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C17H15N5O3S/c18-26(24,25)16-7-3-14(4-8-16)17(23)21-20-11-13-1-5-15(6-2-13)22-10-9-19-12-22/h1-12H,(H,21,23)(H2,18,24,25)/b20-11+
InChIKeyNTTAABZMCNCTIG-RGVLZGJSSA-N
MW369.41 g/mol
LogP1.28
Rot. Bonds5

About N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide

N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide (PubChem CID 155562815) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide
PubChem CID155562815
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC NameN-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C17H15N5O3S/c18-26(24,25)16-7-3-14(4-8-16)17(23)21-20-11-13-1-5-15(6-2-13)22-10-9-19-12-22/h1-12H,(H,21,23)(H2,18,24,25)/b20-11+
InChIKeyNTTAABZMCNCTIG-RGVLZGJSSA-N
XLogP1.28
TPSA119.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide?
The IUPAC name of N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide (CID 155562815) is N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide?
The InChIKey is NTTAABZMCNCTIG-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H15N5O3S/c18-26(24,25)16-7-3-14(4-8-16)17(23)21-20-11-13-1-5-15(6-2-13)22-10-9-19-12-22/h1-12H,(H,21,23)(H2,18,24,25)/b20-11+.
What are the key properties of N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide?
N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide has a molecular weight of 369.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-sulfamoylbenzamide is sourced from PubChem (CID 155562815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).