N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide

C14H13N5O4S — CID 6900209

IUPACN'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)cc1
InChIInChI=1S/C14H13N5O4S/c15-24(22,23)12-5-3-11(4-6-12)18-13(20)14(21)19-17-9-10-2-1-7-16-8-10/h1-9H,(H,18,20)(H,19,21)(H2,15,22,23)/b17-9+
InChIKeyNYOQJQAEBSEUJV-RQZCQDPDSA-N
MW347.36 g/mol
LogP-0.18
Rot. Bonds4

About N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide

N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide (PubChem CID 6900209) has the molecular formula C14H13N5O4S and a molecular weight of 347.36 g/mol. Its IUPAC name is N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide
PubChem CID6900209
Molecular FormulaC14H13N5O4S
Molecular Weight347.36 g/mol
Exact Mass347.07
IUPAC NameN'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)cc1
InChIInChI=1S/C14H13N5O4S/c15-24(22,23)12-5-3-11(4-6-12)18-13(20)14(21)19-17-9-10-2-1-7-16-8-10/h1-9H,(H,18,20)(H,19,21)(H2,15,22,23)/b17-9+
InChIKeyNYOQJQAEBSEUJV-RQZCQDPDSA-N
XLogP-0.18
TPSA143.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(pyridin-3-ylmethylideneamino)benzenesulfonamide
CID 10659069
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide
CID 154631889
3-(3,4-dihydroxyphenyl)-2-pyridin-3-yl-N-(4-sulfamoylphenyl)prop-2-enamide;hydrobromide
CID 67690515
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
N-(4-bromophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 3988560
4-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethylideneamino)benzamide
CID 3278229
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780
N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 94833523
4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 6875653
N-(4-fluorophenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 6019949
(2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide
CID 172842868

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide?
The IUPAC name of N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide (CID 6900209) is N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide?
The canonical SMILES for N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide is NS(=O)(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)cc1.
What is the InChIKey of N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide?
The InChIKey is NYOQJQAEBSEUJV-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H13N5O4S/c15-24(22,23)12-5-3-11(4-6-12)18-13(20)14(21)19-17-9-10-2-1-7-16-8-10/h1-9H,(H,18,20)(H,19,21)(H2,15,22,23)/b17-9+.
What are the key properties of N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide?
N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide has a molecular weight of 347.36 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-pyridin-3-ylmethylideneamino]-N-(4-sulfamoylphenyl)oxamide is sourced from PubChem (CID 6900209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).