N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide

C17H20FNO3S — CID 73168431

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1cccc(C)c1)c1cccc(F)c1
InChIInChI=1S/C17H20FNO3S/c1-13-5-3-6-14(9-13)12-23(20,21)19-11-17(22-2)15-7-4-8-16(18)10-15/h3-10,17,19H,11-12H2,1-2H3
InChIKeyIKOURZFRCDFEMP-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.94
Rot. Bonds7

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide (PubChem CID 73168431) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide
PubChem CID73168431
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1cccc(C)c1)c1cccc(F)c1
InChIInChI=1S/C17H20FNO3S/c1-13-5-3-6-14(9-13)12-23(20,21)19-11-17(22-2)15-7-4-8-16(18)10-15/h3-10,17,19H,11-12H2,1-2H3
InChIKeyIKOURZFRCDFEMP-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide (CID 73168431) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide is COC(CNS(=O)(=O)Cc1cccc(C)c1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is IKOURZFRCDFEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-13-5-3-6-14(9-13)12-23(20,21)19-11-17(22-2)15-7-4-8-16(18)10-15/h3-10,17,19H,11-12H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 73168431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).