N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide

C10H13N3O5S — CID 15997410

IUPACN-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O5S/c1-8(14)11-5-6-12-19(17,18)10-4-2-3-9(7-10)13(15)16/h2-4,7,12H,5-6H2,1H3,(H,11,14)
InChIKeyHQFKTEWGEULZHZ-UHFFFAOYSA-N
MW287.30 g/mol
LogP0.01
Rot. Bonds6

About N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide

N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide (PubChem CID 15997410) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide
PubChem CID15997410
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC NameN-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O5S/c1-8(14)11-5-6-12-19(17,18)10-4-2-3-9(7-10)13(15)16/h2-4,7,12H,5-6H2,1H3,(H,11,14)
InChIKeyHQFKTEWGEULZHZ-UHFFFAOYSA-N
XLogP0.01
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide (CID 15997410) is N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is HQFKTEWGEULZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-8(14)11-5-6-12-19(17,18)10-4-2-3-9(7-10)13(15)16/h2-4,7,12H,5-6H2,1H3,(H,11,14).
What are the key properties of N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 287.30 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 15997410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).