N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide

C17H20FNO3S — CID 110782026

IUPACN-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)Cc2ccccc2C)cc1F
InChIInChI=1S/C17H20FNO3S/c1-3-22-17-9-8-14(10-16(17)18)11-19-23(20,21)12-15-7-5-4-6-13(15)2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyXZUYQIUUYSASDU-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.15
Rot. Bonds7

About N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide

N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110782026) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110782026
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC NameN-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)Cc2ccccc2C)cc1F
InChIInChI=1S/C17H20FNO3S/c1-3-22-17-9-8-14(10-16(17)18)11-19-23(20,21)12-15-7-5-4-6-13(15)2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyXZUYQIUUYSASDU-UHFFFAOYSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide
CID 110782030
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
1-[(4-ethoxy-3-fluorophenyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111833510
N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 22206211
4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 112685466
N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 110782022
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021
N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110776517
N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide
CID 110781946
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide
CID 30380870
1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 30386508
N-[3-[[(2-methylphenyl)methylsulfonylamino]methyl]phenyl]acetamide
CID 131961898

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide (CID 110782026) is N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide is CCOc1ccc(CNS(=O)(=O)Cc2ccccc2C)cc1F.
What is the InChIKey of N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is XZUYQIUUYSASDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-3-22-17-9-8-14(10-16(17)18)11-19-23(20,21)12-15-7-5-4-6-13(15)2/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide?
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.15, 7 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]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110782026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).