1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide

C16H17F2NO3S — CID 90623062

IUPAC1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H17F2NO3S/c1-22-16(13-3-2-4-15(18)9-13)10-19-23(20,21)11-12-5-7-14(17)8-6-12/h2-9,16,19H,10-11H2,1H3
InChIKeyDETHTTKCGLXFIG-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.77
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide (PubChem CID 90623062) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
PubChem CID90623062
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Name1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C16H17F2NO3S/c1-22-16(13-3-2-4-15(18)9-13)10-19-23(20,21)11-12-5-7-14(17)8-6-12/h2-9,16,19H,10-11H2,1H3
InChIKeyDETHTTKCGLXFIG-UHFFFAOYSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide
CID 90623072
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 90623048
1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide
CID 86819915
1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide
CID 90598855
4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 73168435
(E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide
CID 73168430
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 51249056
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
CID 90623112
5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 73168447
2-(3-fluorophenyl)-2-methoxyethanesulfonic acid
CID 115040043
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide (CID 90623062) is 1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide is COC(CNS(=O)(=O)Cc1ccc(F)cc1)c1cccc(F)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide?
The InChIKey is DETHTTKCGLXFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-22-16(13-3-2-4-15(18)9-13)10-19-23(20,21)11-12-5-7-14(17)8-6-12/h2-9,16,19H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide is sourced from PubChem (CID 90623062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).