N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide

C17H20FNO2S — CID 94616414

IUPACN-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCCc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO2S/c1-3-14-4-8-16(9-5-14)13(2)19-22(20,21)12-15-6-10-17(18)11-7-15/h4-11,13,19H,3,12H2,1-2H3/t13-/m0/s1
InChIKeyWSJSNJMLFWPICH-ZDUSSCGKSA-N
MW321.42 g/mol
LogP3.57
Rot. Bonds6

About N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide

N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 94616414) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID94616414
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC NameN-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCCc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO2S/c1-3-14-4-8-16(9-5-14)13(2)19-22(20,21)12-15-6-10-17(18)11-7-15/h4-11,13,19H,3,12H2,1-2H3/t13-/m0/s1
InChIKeyWSJSNJMLFWPICH-ZDUSSCGKSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 127508935
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 32676505
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965
1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 92671846
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 133161036
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
CID 95733792
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93488201
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide (CID 94616414) is N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide is CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is WSJSNJMLFWPICH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-3-14-4-8-16(9-5-14)13(2)19-22(20,21)12-15-6-10-17(18)11-7-15/h4-11,13,19H,3,12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 94616414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).