N-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide

C13H12N4O5S — CID 2933557

IUPACN-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C13H12N4O5S/c1-9(18)15-10-2-5-12(6-3-10)23(21,22)16-13-7-4-11(8-14-13)17(19)20/h2-8H,1H3,(H,14,16)(H,15,18)
InChIKeyNYBMWIZKZORODE-UHFFFAOYSA-N
MW336.33 g/mol
LogP1.75
Rot. Bonds5

About N-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide

N-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide (PubChem CID 2933557) has the molecular formula C13H12N4O5S and a molecular weight of 336.33 g/mol. Its IUPAC name is N-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide
PubChem CID2933557
Molecular FormulaC13H12N4O5S
Molecular Weight336.33 g/mol
Exact Mass336.05
IUPAC NameN-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C13H12N4O5S/c1-9(18)15-10-2-5-12(6-3-10)23(21,22)16-13-7-4-11(8-14-13)17(19)20/h2-8H,1H3,(H,14,16)(H,15,18)
InChIKeyNYBMWIZKZORODE-UHFFFAOYSA-N
XLogP1.75
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide (CID 2933557) is N-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide?
The InChIKey is NYBMWIZKZORODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O5S/c1-9(18)15-10-2-5-12(6-3-10)23(21,22)16-13-7-4-11(8-14-13)17(19)20/h2-8H,1H3,(H,14,16)(H,15,18).
What are the key properties of N-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide?
N-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide has a molecular weight of 336.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-nitro-2-pyridinyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2933557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).