N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide

C11H15N3O5S — CID 15997409

IUPACN-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O5S/c1-8-3-4-10(7-11(8)14(16)17)20(18,19)13-6-5-12-9(2)15/h3-4,7,13H,5-6H2,1-2H3,(H,12,15)
InChIKeyQDFWDAZWYVTTPX-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.32
Rot. Bonds6

About N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide

N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide (PubChem CID 15997409) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide
PubChem CID15997409
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC NameN-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O5S/c1-8-3-4-10(7-11(8)14(16)17)20(18,19)13-6-5-12-9(2)15/h3-4,7,13H,5-6H2,1-2H3,(H,12,15)
InChIKeyQDFWDAZWYVTTPX-UHFFFAOYSA-N
XLogP0.32
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.32
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-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide (CID 15997409) is N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is QDFWDAZWYVTTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-8-3-4-10(7-11(8)14(16)17)20(18,19)13-6-5-12-9(2)15/h3-4,7,13H,5-6H2,1-2H3,(H,12,15).
What are the key properties of N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 301.32 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 15997409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).