4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide

C21H19FN2O4S — CID 27758316

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN2O4S/c22-17-8-12-20(13-9-17)29(26,27)24-18-10-6-16(7-11-18)21(25)23-14-15-28-19-4-2-1-3-5-19/h1-13,24H,14-15H2,(H,23,25)
InChIKeyRQOAFRCRGXWLQN-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.44
Rot. Bonds8

About 4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide

4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide (PubChem CID 27758316) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
PubChem CID27758316
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN2O4S/c22-17-8-12-20(13-9-17)29(26,27)24-18-10-6-16(7-11-18)21(25)23-14-15-28-19-4-2-1-3-5-19/h1-13,24H,14-15H2,(H,23,25)
InChIKeyRQOAFRCRGXWLQN-UHFFFAOYSA-N
XLogP3.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
CID 26444549
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957
N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 46597927
3-[2-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]ethyldisulfanyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 166422658
4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 46389220
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 37148868
N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
CID 42123150
N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 109060264

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide (CID 27758316) is 4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide is O=C(NCCOc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide?
The InChIKey is RQOAFRCRGXWLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c22-17-8-12-20(13-9-17)29(26,27)24-18-10-6-16(7-11-18)21(25)23-14-15-28-19-4-2-1-3-5-19/h1-13,24H,14-15H2,(H,23,25).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide?
4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide has a molecular weight of 414.46 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 27758316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).