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

C16H16FN3O5S — CID 26217786

IUPACN-[(4-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H16FN3O5S/c1-19(11-16(21)18-10-12-5-7-13(17)8-6-12)26(24,25)15-4-2-3-14(9-15)20(22)23/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyHAUYBNCILQULSO-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.67
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide (PubChem CID 26217786) has the molecular formula C16H16FN3O5S and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
PubChem CID26217786
Molecular FormulaC16H16FN3O5S
Molecular Weight381.39 g/mol
Exact Mass381.08
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H16FN3O5S/c1-19(11-16(21)18-10-12-5-7-13(17)8-6-12)26(24,25)15-4-2-3-14(9-15)20(22)23/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyHAUYBNCILQULSO-UHFFFAOYSA-N
XLogP1.67
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide (CID 26217786) is N-[(4-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide is CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is HAUYBNCILQULSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O5S/c1-19(11-16(21)18-10-12-5-7-13(17)8-6-12)26(24,25)15-4-2-3-14(9-15)20(22)23/h2-9H,10-11H2,1H3,(H,18,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide?
N-[(4-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 381.39 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 26217786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).