N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide

C16H17FN2O4S — CID 37360957

IUPACN-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O4S/c1-24(21,22)19-14-6-2-12(3-7-14)16(20)18-10-11-23-15-8-4-13(17)5-9-15/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyHWXSQGZFJMVFAI-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.01
Rot. Bonds7

About N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide

N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide (PubChem CID 37360957) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
PubChem CID37360957
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O4S/c1-24(21,22)19-14-6-2-12(3-7-14)16(20)18-10-11-23-15-8-4-13(17)5-9-15/h2-9,19H,10-11H2,1H3,(H,18,20)
InChIKeyHWXSQGZFJMVFAI-UHFFFAOYSA-N
XLogP2.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.01
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

N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
CID 42123150
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316
4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108540785
4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108540772
N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide
CID 120705717
4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 46597927
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide
CID 32647614
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide (CID 37360957) is N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide?
The InChIKey is HWXSQGZFJMVFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-24(21,22)19-14-6-2-12(3-7-14)16(20)18-10-11-23-15-8-4-13(17)5-9-15/h2-9,19H,10-11H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide?
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 37360957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).