N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide

C17H20FNO3S — CID 110782030

IUPACN-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C17H20FNO3S/c1-2-22-17-9-8-15(12-16(17)18)13-19-23(20,21)11-10-14-6-4-3-5-7-14/h3-9,12,19H,2,10-11,13H2,1H3
InChIKeyIYOHCMHVCOZDPJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.89
Rot. Bonds8

About N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide

N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide (PubChem CID 110782030) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide
PubChem CID110782030
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC NameN-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)CCc2ccccc2)cc1F
InChIInChI=1S/C17H20FNO3S/c1-2-22-17-9-8-15(12-16(17)18)13-19-23(20,21)11-10-14-6-4-3-5-7-14/h3-9,12,19H,2,10-11,13H2,1H3
InChIKeyIYOHCMHVCOZDPJ-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide
CID 110780051
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110782026
N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 22206211
N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 110782022
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021
N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide
CID 110781946
N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779830
N-[[3-(chloromethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 80690880
N-[[3-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 114298015
N-[[4-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 107233959
1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117407186
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide (CID 110782030) is N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide is CCOc1ccc(CNS(=O)(=O)CCc2ccccc2)cc1F.
What is the InChIKey of N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide?
The InChIKey is IYOHCMHVCOZDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-2-22-17-9-8-15(12-16(17)18)13-19-23(20,21)11-10-14-6-4-3-5-7-14/h3-9,12,19H,2,10-11,13H2,1H3.
What are the key properties of N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide?
N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110782030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).