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

C17H20FNO3S — CID 90598855

IUPAC1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1cccc(F)c1)c1ccccc1C
InChIInChI=1S/C17H20FNO3S/c1-13-6-3-4-9-16(13)17(22-2)11-19-23(20,21)12-14-7-5-8-15(18)10-14/h3-10,17,19H,11-12H2,1-2H3
InChIKeyGCWWIXBHPOXVOX-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.94
Rot. Bonds7

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

1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide (PubChem CID 90598855) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide
PubChem CID90598855
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1cccc(F)c1)c1ccccc1C
InChIInChI=1S/C17H20FNO3S/c1-13-6-3-4-9-16(13)17(22-2)11-19-23(20,21)12-14-7-5-8-15(18)10-14/h3-10,17,19H,11-12H2,1-2H3
InChIKeyGCWWIXBHPOXVOX-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

N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 97417781
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
CID 90623062
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598861
1-(4-fluoro-2-methylphenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide
CID 86819915
3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 71810535
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 71810536
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598910
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717949
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide (CID 90598855) is 1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide is COC(CNS(=O)(=O)Cc1cccc(F)c1)c1ccccc1C.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide?
The InChIKey is GCWWIXBHPOXVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-13-6-3-4-9-16(13)17(22-2)11-19-23(20,21)12-14-7-5-8-15(18)10-14/h3-10,17,19H,11-12H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]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-(3-fluorophenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 90598855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).