N-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide

C13H13N5O5S — CID 4051803

IUPACN-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H13N5O5S/c1-9(19)15-10-4-6-11(7-5-10)24(22,23)17-16-13-12(18(20)21)3-2-8-14-13/h2-8,17H,1H3,(H,14,16)(H,15,19)
InChIKeyNTFORCLHYQAWNJ-UHFFFAOYSA-N
MW351.34 g/mol
LogP1.25
Rot. Bonds6

About N-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide

N-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide (PubChem CID 4051803) has the molecular formula C13H13N5O5S and a molecular weight of 351.34 g/mol. Its IUPAC name is N-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide
PubChem CID4051803
Molecular FormulaC13H13N5O5S
Molecular Weight351.34 g/mol
Exact Mass351.06
IUPAC NameN-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H13N5O5S/c1-9(19)15-10-4-6-11(7-5-10)24(22,23)17-16-13-12(18(20)21)3-2-8-14-13/h2-8,17H,1H3,(H,14,16)(H,15,19)
InChIKeyNTFORCLHYQAWNJ-UHFFFAOYSA-N
XLogP1.25
TPSA143.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide (CID 4051803) is N-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNc2ncccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide?
The InChIKey is NTFORCLHYQAWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O5S/c1-9(19)15-10-4-6-11(7-5-10)24(22,23)17-16-13-12(18(20)21)3-2-8-14-13/h2-8,17H,1H3,(H,14,16)(H,15,19).
What are the key properties of N-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide?
N-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide has a molecular weight of 351.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-nitro-2-pyridinyl)amino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4051803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).