N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide

C14H12FN3O6S — CID 55529140

IUPACN-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
SMILESNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12FN3O6S/c15-9-1-3-10(4-2-9)17-14(19)8-24-13-6-5-11(25(16,22)23)7-12(13)18(20)21/h1-7H,8H2,(H,17,19)(H2,16,22,23)
InChIKeyUTFKQJUXIYEHKA-UHFFFAOYSA-N
MW369.33 g/mol
LogP1.40
Rot. Bonds6

About N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide

N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide (PubChem CID 55529140) has the molecular formula C14H12FN3O6S and a molecular weight of 369.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
PubChem CID55529140
Molecular FormulaC14H12FN3O6S
Molecular Weight369.33 g/mol
Exact Mass369.04
IUPAC NameN-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
SMILESNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12FN3O6S/c15-9-1-3-10(4-2-9)17-14(19)8-24-13-6-5-11(25(16,22)23)7-12(13)18(20)21/h1-7H,8H2,(H,17,19)(H2,16,22,23)
InChIKeyUTFKQJUXIYEHKA-UHFFFAOYSA-N
XLogP1.40
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 51.40
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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Related Compounds

N-(3-iodophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55528382
2-(5-fluoro-2-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7846097
2-[(2-nitro-3-pyridinyl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 3347612
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
N-[4-(diethylamino)phenyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 3953984
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55527923
2-(4-chloro-2-nitrophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 7979740
2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2565697
N-(3-fluorophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 5172072
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide
CID 5134545
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide (CID 55529140) is N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide is NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide?
The InChIKey is UTFKQJUXIYEHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O6S/c15-9-1-3-10(4-2-9)17-14(19)8-24-13-6-5-11(25(16,22)23)7-12(13)18(20)21/h1-7H,8H2,(H,17,19)(H2,16,22,23).
What are the key properties of N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide?
N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide has a molecular weight of 369.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 55529140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).