N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide

C17H20FNO2S — CID 127508935

IUPACN-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCCc1ccc(C(C)NS(=O)(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO2S/c1-3-14-8-10-15(11-9-14)13(2)19-22(20,21)12-16-6-4-5-7-17(16)18/h4-11,13,19H,3,12H2,1-2H3
InChIKeyDLITUOFBGWVRBY-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.57
Rot. Bonds6

About N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide

N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 127508935) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID127508935
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCCc1ccc(C(C)NS(=O)(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO2S/c1-3-14-8-10-15(11-9-14)13(2)19-22(20,21)12-16-6-4-5-7-17(16)18/h4-11,13,19H,3,12H2,1-2H3
InChIKeyDLITUOFBGWVRBY-UHFFFAOYSA-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-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
1-(2-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93487203
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
1-(2-fluorophenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 52857415
1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 133161036
1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 100567034
N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828627
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
CID 95733792
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
CID 42563699
1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 107864041
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide (CID 127508935) is N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide is CCc1ccc(C(C)NS(=O)(=O)Cc2ccccc2F)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is DLITUOFBGWVRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-3-14-8-10-15(11-9-14)13(2)19-22(20,21)12-16-6-4-5-7-17(16)18/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
N-[1-(4-ethylphenyl)ethyl]-1-(2-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-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 127508935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).