1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide

C17H20FNO3S — CID 86819915

IUPAC1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1ccc(F)cc1C)c1ccccc1
InChIInChI=1S/C17H20FNO3S/c1-13-10-16(18)9-8-15(13)12-23(20,21)19-11-17(22-2)14-6-4-3-5-7-14/h3-10,17,19H,11-12H2,1-2H3
InChIKeyGUFYRQOHHFMDAD-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.94
Rot. Bonds7

About 1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide

1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide (PubChem CID 86819915) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide
PubChem CID86819915
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1ccc(F)cc1C)c1ccccc1
InChIInChI=1S/C17H20FNO3S/c1-13-10-16(18)9-8-15(13)12-23(20,21)19-11-17(22-2)14-6-4-3-5-7-14/h3-10,17,19H,11-12H2,1-2H3
InChIKeyGUFYRQOHHFMDAD-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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Related Compounds

1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
CID 90623062
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-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 97417781
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 90623048
4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene
CID 114349484
1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 110018886
N-[(2S)-2-methoxy-2-phenylethyl]morpholine-4-sulfonamide
CID 94024917
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 91631035
N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide
CID 90623072
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
CID 90623112

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide (CID 86819915) is 1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide is COC(CNS(=O)(=O)Cc1ccc(F)cc1C)c1ccccc1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide?
The InChIKey is GUFYRQOHHFMDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-13-10-16(18)9-8-15(13)12-23(20,21)19-11-17(22-2)14-6-4-3-5-7-14/h3-10,17,19H,11-12H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide?
1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)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 1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 86819915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).