2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide

C18H22FNO2S — CID 110356377

IUPAC2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide
SMILESCC(CCNS(=O)(=O)CCc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H22FNO2S/c1-15(16-7-3-2-4-8-16)11-13-20-23(21,22)14-12-17-9-5-6-10-18(17)19/h2-10,15,20H,11-14H2,1H3
InChIKeyBXSAEJZTOHMIAV-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.48
Rot. Bonds8

About 2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide

2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide (PubChem CID 110356377) has the molecular formula C18H22FNO2S and a molecular weight of 335.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide
PubChem CID110356377
Molecular FormulaC18H22FNO2S
Molecular Weight335.44 g/mol
Exact Mass335.14
IUPAC Name2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide
SMILESCC(CCNS(=O)(=O)CCc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H22FNO2S/c1-15(16-7-3-2-4-8-16)11-13-20-23(21,22)14-12-17-9-5-6-10-18(17)19/h2-10,15,20H,11-14H2,1H3
InChIKeyBXSAEJZTOHMIAV-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide
CID 107650619
4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 54952610
4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513594
3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide
CID 94107192
2-(2-fluorophenyl)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]ethanesulfonamide
CID 110310723
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
4-amino-N-(3-phenylbutyl)benzenesulfonamide
CID 62986614
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-phenylethanesulfonamide
CID 110371439
N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110411117
2-[(2-fluorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21148291
N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine
CID 55154070
N-cyclopropyl-2-[2-(2-fluorophenyl)ethylsulfonylamino]acetamide
CID 110305291

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide (CID 110356377) is 2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide is CC(CCNS(=O)(=O)CCc1ccccc1F)c1ccccc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide?
The InChIKey is BXSAEJZTOHMIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2S/c1-15(16-7-3-2-4-8-16)11-13-20-23(21,22)14-12-17-9-5-6-10-18(17)19/h2-10,15,20H,11-14H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide?
2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide has a molecular weight of 335.44 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide is sourced from PubChem (CID 110356377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).