2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

C15H15N5O5S — CID 126032717

IUPAC2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C\c1ccccn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N5O5S/c1-26(24,25)19(13-6-4-7-14(9-13)20(22)23)11-15(21)18-17-10-12-5-2-3-8-16-12/h2-10H,11H2,1H3,(H,18,21)/b17-10-
InChIKeyINOPRCSFRNHRHQ-YVLHZVERSA-N
MW377.38 g/mol
LogP0.91
Rot. Bonds7

About 2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 126032717) has the molecular formula C15H15N5O5S and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID126032717
Molecular FormulaC15H15N5O5S
Molecular Weight377.38 g/mol
Exact Mass377.08
IUPAC Name2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C\c1ccccn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N5O5S/c1-26(24,25)19(13-6-4-7-14(9-13)20(22)23)11-15(21)18-17-10-12-5-2-3-8-16-12/h2-10H,11H2,1H3,(H,18,21)/b17-10-
InChIKeyINOPRCSFRNHRHQ-YVLHZVERSA-N
XLogP0.91
TPSA134.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126034061
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(N-methylsulfonylanilino)acetamide
CID 6876829
2-(N-methylsulfonyl-3-nitroanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 28564287
2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
CID 570404
2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
CID 126030817
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 1317768
N-(cyclooctylideneamino)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126031778
2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126033899
3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5405168
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 137077728
N-(3,4-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126274559
2-(N-methylsulfonyl-3-nitroanilino)-N-pyridin-3-ylacetamide
CID 1309445

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (CID 126032717) is 2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is CS(=O)(=O)N(CC(=O)N/N=C\c1ccccn1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is INOPRCSFRNHRHQ-YVLHZVERSA-N. The full InChI is InChI=1S/C15H15N5O5S/c1-26(24,25)19(13-6-4-7-14(9-13)20(22)23)11-15(21)18-17-10-12-5-2-3-8-16-12/h2-10H,11H2,1H3,(H,18,21)/b17-10-.
What are the key properties of 2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 377.38 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 126032717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).