N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide

C16H17FN2O3S — CID 798295

IUPACN-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O3S/c1-12(20)19-15-6-8-16(9-7-15)23(21,22)18-11-10-13-2-4-14(17)5-3-13/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyCULCWMFXGVTNIP-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.31
Rot. Bonds6

About N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide

N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 798295) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide
PubChem CID798295
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O3S/c1-12(20)19-15-6-8-16(9-7-15)23(21,22)18-11-10-13-2-4-14(17)5-3-13/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyCULCWMFXGVTNIP-UHFFFAOYSA-N
XLogP2.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide (CID 798295) is N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is CULCWMFXGVTNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-12(20)19-15-6-8-16(9-7-15)23(21,22)18-11-10-13-2-4-14(17)5-3-13/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 798295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).